SCHEMBL819491

SCHEMBL819491

OBOc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.41
LDHA P00338 1/20 0.40
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL15449526 0.93 MAPK1 (0.42) CYP2A6MAPTLDHAALOX15MAPK1
SCHEMBL14477632 0.86 MEN1 (0.33) MEN1KMT2ACA2CA1CA9
SCHEMBL390464 0.78 CYP2A6 (0.47) CYP2A6MAPTLDHAALOX15MAPK1
SCHEMBL12201784 0.77 CYP2A6 (0.48) CYP2A6MAPTMAPK1MEN1LMNA
SCHEMBL79980 0.76 ESR2 (0.52) MAPTALOX15MEN1LMNARAB9A
SCHEMBL121643 0.74 NFE2L2 (0.37) LMNACA2CA1CA9MAOA
SCHEMBL626870 0.74 LMNA (0.42) CYP2A6MAPTALOX15MEN1LMNA
SCHEMBL15836111 0.74 CYP3A4 (0.32) TSHR
SCHEMBL5148477 0.74 ALDH1A1 (0.50) MAPTALOX15MAPK1MEN1RAB9A
SCHEMBL819814 0.74 CA1 (0.58) MAPTMAPK1RAB9ANPSR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11825740-B2 Amine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-11805697-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-31 US disclosed
WO-2023125716-A1 CLASS OF QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-114773136-A Method for synthesizing arylamine 陕西师范大学 2022-07-22 CN disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20170338421-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-11-23 US disclosed
US-20170309838-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-10-26 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130037782-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-14 US disclosed
US-20130032787-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-07 US disclosed
US-20130020562-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION 2013-01-24 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 US disclosed
US-20110108814-A1 POLYMER COMPOUND, NET-LIKE POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-05-12 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20110054228-A1 BLUE ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-03-03 US disclosed
US-20110042661-A1 CONJUGATED POLYMER, INSOLUBILIZED POLYMER, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, POLYMER PRODUCTION PROCESS, ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC EL DISPLAY AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-02-24 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 (15 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-20170338421-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OR10J3, TRMT1L, OSGEP CYP2A6 4622/4885MAPT 75/4885LDHA 393/4885
US-20170309838-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OR10J3, TRMT1L, OSGEP CYP2A6 4622/4885MAPT 75/4885LDHA 393/4885
US-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 CYP2A6 3111/4885MAPT 4377/4885LDHA 2646/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CYP2A6 3293/4885MAPT 4564/4885LDHA 2038/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CYP2A6 555/4885MAPT 3166/4885LDHA 1456/4885
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT HSD17B11, HSD17B2, HSD17B1 CYP2A6 1320/4885MAPT 1503/4885LDHA 1372/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 CYP2A6 2024/4885MAPT 609/4885LDHA 95/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CYP2A6 2995/4885MAPT 3250/4885LDHA 4110/4885
US-11805697-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SLC18A2, SLC18A1, MAOA CYP2A6 758/4885MAPT 683/4885LDHA 310/4885
US-20130032787-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME PER2, CRY2, TELO2 CYP2A6 742/4885MAPT 1824/4885LDHA 2028/4885
US-20130037782-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DRD1, OPRD1, OXER1 CYP2A6 409/4885MAPT 1135/4885LDHA 1091/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 CYP2A6 1838/4885MAPT 2637/4885LDHA 4026/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CYP2A6 3516/4885MAPT 4006/4885LDHA 2309/4885
US-20110054228-A1 BLUE ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME ORMDL3, OCIAD2, OCIAD1 CYP2A6 1788/4885MAPT 888/4885LDHA 627/4885
US-11825740-B2 Amine compound and organic light-emitting device including the same AOC2, AOC1, AOC3 CYP2A6 2184/4885MAPT 446/4885LDHA 447/4885

“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.