SCHEMBL74680

SCHEMBL74680

Nc1ccc2c[c]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ CASP1 P29466 3/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ HBB P68871 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ PLAU P00749 2/20 0.39
▸ HTT P42858 4/20 0.38
▸ F2 P00734 1/20 0.38
▸ CHRM2 P08172 1/20 0.38

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
SCHEMBL2257756 0.91 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL2257102 0.91 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL2252105 0.91 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL129202 0.77 — —
SCHEMBL145891 0.77 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL29367325 0.77 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL559813 0.75 — —
SCHEMBL70257 0.75 — —
Fluoride SCHEMBL27620141 0.74 ALDH1A1 (0.72) ALDH1A1CYP3A4HSD17B10CASP1HIF1A
SCHEMBL645484 0.73 CYP1A2 (0.59) ALDH1A1CYP3A4HSD17B10TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 — — US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 — — EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 — — US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 — — EP claimed
CN-118339214-A Coating composition PPG工业俄亥俄公司 2024-07-12 — — CN disclosed
US-12018110-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-06-25 — — US disclosed
EP-4382545-A2 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG Industries Ohio, Inc. (US) 2024-06-12 — — EP disclosed
CN-115678377-B Acrylic polyester resin and aqueous coating composition containing same PPG工业俄亥俄公司 2024-05-28 — — CN disclosed
EP-4372020-A2 AN ACRYLIC POLYESTER RESIN AND AN AQUEOUS COATING COMPOSITION CONTAINING THE SAME PPG Industries Ohio, Inc. (US) 2024-05-22 — — EP disclosed
US-20240158650-A1 A COATING COMPOSITION PPG COATINGS EUROPE B.V. (NL) 2024-05-16 — — US disclosed
US-11981764-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-05-14 — — US disclosed
WO-2024074813-A1 A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT OWLSTONE MEDICAL LIMITED (GB) 2024-04-11 — — WO disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 — — WO disclosed
US-5374697-A Selected novel sulfonium compounds particularly suitable as initiators for the thermal cure of cationically polymerisable materials CIBA-GEIGY CORPORATION (US) 1994-12-20 — — US disclosed
US-5296567-A Using stable initiator CIBA-GEIGY CORPORATION (US) 1994-03-22 — — US disclosed
EP-0580552-A1 Selected new sulphonium compounds, particularly suitable as initiators for the thermal curing of cationically polymerisable materials CIBA-GEIGY AG (CH) 1994-01-26 — — EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — US disclosed
EP-0508952-A2 Epoxy resin blends, especially for the preparation of storable prepregs CIBA-GEIGY AG (CH) 1992-10-14 — — EP disclosed
EP-0508951-A2 Heat curable composition CIBA-GEIGY AG (CH) 1992-10-14 — — EP disclosed
EP-0452263-A2 Epoxy resin mixtures containing an iron-arene complex and a particular amine CIBA-GEIGY AG (CH) 1991-10-16 — — EP 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 (2 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885CYP3A4 1212/4885HSD17B10 868/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885CYP3A4 838/4885HSD17B10 648/4885

“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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