SCHEMBL3787526

SCHEMBL3787526

Clc1cccc2ccc3ccccc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.65
▸ CYP2A6 P11509 6/20 0.65
▸ HSD17B10 Q99714 7/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ HPGD P15428 4/20 0.54
▸ THRB P10828 1/20 0.54
▸ TSHR P16473 6/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HPRT1 P00492 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP1B1 Q16678 2/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HIF1A Q16665 2/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ MAOA P21397 1/20 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
SCHEMBL24657341 0.93 CYP1A2 (0.62) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL2849271 0.89 CYP1A2 (0.60) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL17841962 0.89 CYP1A2 (0.60) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL5615235 0.85 CYP1A2 (0.52) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL30887598 0.85 CYP1A2 (0.64) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL22211948 0.85 CYP1A2 (0.64) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
Phenanthrene SCHEMBL9753553 0.80 CYP2A6 (0.90) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL22019099 0.80 CYP1A2 (0.52) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD
SCHEMBL26511319 0.80 CYP2A6 (0.52) CYP1A2CYP2A6HSD17B10ALDH1A1MEN1
SCHEMBL24034361 0.80 AHR (0.50) CYP1A2CYP2A6HSD17B10ALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 — — US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
WO-2007147775-A1 PROCESS FOR SYNTHESIS OF AROMATIC COMPOUNDS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 — — 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-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS ACOX3, ACOT7, ACOX1 CYP1A2 651/4885CYP2A6 2059/4885HSD17B10 75/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP1A2 170/4885CYP2A6 333/4885HSD17B10 1100/4885
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof PPOX, ESR1, CCNE2 CYP1A2 551/4885CYP2A6 719/4885HSD17B10 1892/4885

“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.

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