SCHEMBL3630203

SCHEMBL3630203

Nc1cccc2ccc3ccccc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
HSD17B10 Q99714 7/20 0.65
HPGD P15428 5/20 0.65
TSHR P16473 5/20 0.65
CYP3A4 P08684 5/20 0.65
KEAP1 Q14145 1/20 0.65
CYP1A2 P05177 5/20 0.54
THRB P10828 1/20 0.54
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPRT1 P00492 2/20 0.48
CYP1B1 Q16678 2/20 0.46
CYP1A1 P04798 1/20 0.46
JAK2 O60674 1/20 0.44
RPS6KA3 P51812 1/20 0.44
MELK Q14680 1/20 0.44
STK24 Q9Y6E0 1/20 0.44
HIF1A Q16665 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43

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
SCHEMBL31158232 1.00 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL28712139 0.98 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29518611 0.98 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL7242534 0.91 HSD17B10 (0.60) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL16194308 0.89 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL27712301 0.89 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL18600581 0.87 HSD17B10 (0.58) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL28877491 0.86 ALDH1A1 (0.81) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL30446927 0.86 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL28534201 0.85 HSD17B10 (0.58) ALDH1A1HSD17B10HPGDTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440601-A A kind of aromatic hydrocarbons-ruthenium complex and its preparation method and application 东南大学 2018-08-24 CN claimed
CN-112368857-B Charge transport composition 日产化学株式会社 2025-06-10 CN disclosed
US-20240334829-A1 LIGHT EMITTING ELEMENT AND FUSED POLYCYCLIC COMPOUND FOR THE LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2024-10-03 US disclosed
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 US disclosed
CN-116888223-A Charge-transporting ink composition 日产化学株式会社 2023-10-13 CN disclosed
CN-113646376-B Charge-transporting varnish 日产化学株式会社 2023-09-26 CN disclosed
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
EP-3915966-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME Samsung Display Co., Ltd. (KR) 2021-12-01 EP disclosed
CN-113646376-A Charge-transporting varnish 日产化学株式会社 2021-11-12 CN disclosed
WO-2015134317-A1 CHROMOTOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2015-09-11 WO disclosed
CN-103508827-B Method of preparing amino compounds through catalytic reduction of nitro compounds UNIV HENAN NORMAL 2015-05-06 CN disclosed
CN-101891627-B Ruthenium-containing coordination compound and preparation method thereof CHINESE ACAD INST CHEMISTRY 2015-04-29 CN disclosed
US-20140319057-A1 CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES WATERS TECHNOLOGIES CORPORATION (US) 2014-10-30 US disclosed
CN-101890018-B Tyrosine protein kinase inhibitor and preparation method thereof CHINESE ACAD INST CHEMISTRY 2014-06-18 CN disclosed
CN-103508827-A Method of preparing amino compounds through catalytic reduction of nitro compounds UNIV HENAN NORMAL 2014-01-15 CN disclosed
WO-2010048920-A1 RADIATION-EMITTING DEVICE OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-05-06 WO disclosed
WO-2000047693-A1 LUMINESCENT METAL-LIGAND COMPLEXES LJL BIOSYSTEMS, INC. (US) 2000-08-17 WO disclosed
US-5780250-A Immunoassay standards for polyaromatic hydrocarbon detection STRATEGIC DIAGNOSTICS, INC. (US) 1998-07-14 US disclosed
WO-1997031267-A1 IMMUNOASSAY STANDARDS FOR POLYAROMATIC HYDROCARBON DETECTION STRATEGIC DIAGNOSTICS, INC. (US) 1997-08-28 WO 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 (3 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-20240334829-A1 LIGHT EMITTING ELEMENT AND FUSED POLYCYCLIC COMPOUND FOR THE LIGHT EMITTING ELEMENT NFE2L2, LAGE3, LEF1 ALDH1A1 174/4885HSD17B10 2551/4885HPGD 2949/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885HSD17B10 1020/4885HPGD 619/4885
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof PPOX, ESR1, CCNE2 ALDH1A1 1004/4885HSD17B10 1892/4885HPGD 2676/4885

“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.