SCHEMBL3437809

SCHEMBL3437809

OBOc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
AGXT P21549 2/20 0.47
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
PTPN7 P35236 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.42
GAA P10253 1/20 0.42
RCE1 Q9Y256 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25899334 0.93 CYP1A2 (0.45) CYP1A2CYP2A6AGXTKMT2ATDP1
SCHEMBL17752309 0.86 ALDH1A1 (0.48) CYP1A2CYP2A6TDP1MAPTGAA
SCHEMBL25818647 0.85 HPRT1 (0.50) CYP1A2CYP2A6TDP1MAPTALDH1A1
SCHEMBL15197462 0.84 ESR1 (0.57) CYP1A2CYP2A6MAPTKDM4ECA1
SCHEMBL25818597 0.84 ALDH1A1 (0.50) CYP1A2CYP2A6TDP1MAPTALDH1A1
SCHEMBL25626309 0.83 ESR1 (0.53) CYP1A2KMT2ATDP1MEN1PTPN7
SCHEMBL25626311 0.82 ESR1 (0.53) CYP1A2ALOX5
SCHEMBL25608351 0.82 CYP1A2 (0.41) CYP1A2CYP2A6KMT2ATDP1MEN1
SCHEMBL270656 0.81 CYP2A6 (0.56) CYP1A2CYP2A6AGXTKMT2ATDP1
SCHEMBL10197739 0.81 HSD17B1 (0.55) CYP1A2CA1CA2CA9ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240237518-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-07-11 US disclosed
US-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 US disclosed
US-20240215441-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-06-27 US disclosed
US-11985894-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-05-14 US disclosed
US-11917914-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-02-27 US disclosed
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-18 US disclosed
US-20230363266-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-11-09 US disclosed
US-11812623-B2 Hetero-cyclic compound and organic light emitting device using the same LT MATERIALS CO., LTD. (KR) 2023-11-07 US disclosed
US-20230354706-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-11-02 US disclosed
US-11785847-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-10-10 US disclosed
US-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-04-19 US disclosed
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-11-03 US disclosed
US-20110244481-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES JNC CORPORATION (JP) 2011-10-06 US disclosed
US-20110101310-A1 ELECTROACTIVE MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY 2011-05-05 US disclosed
US-20110068683-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES Idemtsu Kosan Co., Ltd 2011-03-24 US disclosed
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-03-03 US disclosed
US-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-03-03 US disclosed
US-7862907-B2 Dimethylenecyclohexane compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-01-04 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
US-20070026258-A1 Dimethylenecyclohexane compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11785847-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof NFE2L2, ESR1, OR51E2 CYP1A2 1831/4885CYP2A6 1544/4885AGXT 1735/4885
US-11812623-B2 Hetero-cyclic compound and organic light emitting device using the same CRY1, CRY2, PER2 CYP1A2 434/4885CYP2A6 422/4885AGXT 3863/4885
US-20110050118-A1 METHOD FOR SYNTHESIZING ANTHRACENE DERIVATIVE AND ANTHRACENE DERIVATIVE, LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE, ELECTRONIC DEVICE ALAD, CYP2C9, CYP1A1 CYP1A2 7/4885CYP2A6 71/4885AGXT 669/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 CYP1A2 721/4885CYP2A6 1715/4885AGXT 2299/4885
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE L1CAM, EPCAM, SELE CYP1A2 2283/4885CYP2A6 3911/4885AGXT 2426/4885
US-20230354706-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, CRY1, PER2 CYP1A2 5/4885CYP2A6 528/4885AGXT 2998/4885
US-20240215441-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, CRY1, AHR CYP1A2 33/4885CYP2A6 120/4885AGXT 3074/4885
US-11917914-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof NFE2L2, ESR1, OR51E2 CYP1A2 1608/4885CYP2A6 1343/4885AGXT 1715/4885
US-20110269759-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 CYP1A2 490/4885CYP2A6 707/4885AGXT 3610/4885
US-20110101310-A1 ELECTROACTIVE MATERIALS KCNN4, SCO2, SYNGR2 CYP1A2 1160/4885CYP2A6 3137/4885AGXT 3750/4885
US-20110054229-A1 LUMINESCENT COMPOUNDS AND ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD2, OCIAD1, ORMDL3 CYP1A2 434/4885CYP2A6 1261/4885AGXT 3681/4885
US-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same OR10J3, ORMDL3, OR51E2 CYP1A2 609/4885CYP2A6 1839/4885AGXT 2396/4885
US-20070026258-A1 Dimethylenecyclohexane compound, method of preparing the same and organic light emitting device comprising the same CRY1, YTHDC1, EMC1 CYP1A2 60/4885CYP2A6 312/4885AGXT 4676/4885
US-11985894-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof NFE2L2, ESR1, OR51E2 CYP1A2 1608/4885CYP2A6 1343/4885AGXT 1715/4885
US-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE TRPA1, AFF4, TYR CYP1A2 36/4885CYP2A6 439/4885AGXT 3148/4885
US-20110244481-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES CCKAR, SI, GLP1R CYP1A2 2015/4885CYP2A6 2535/4885AGXT 1006/4885
US-20230363266-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME DRD1, OPRD1, NR1D1 CYP1A2 356/4885CYP2A6 953/4885AGXT 2904/4885
US-20110068683-A1 ANTHRACENE DERIVATIVES, LUMINESCENT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES ANXA7, AAAS, ANXA1 CYP1A2 590/4885CYP2A6 1860/4885AGXT 1267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.