SCHEMBL1090982

SCHEMBL1090982

Oc1ccc2ccc[c]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ESR2 Q92731 8/20 0.38
ESR1 P03372 7/20 0.38
CYP3A4 P08684 3/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL1296866 0.83 CYP1A2 (0.48) CYP1A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL2318612 0.77 ESR1 (0.35) CYP1A2ALDH1A1MEN1KMT2ACASP1
SCHEMBL756551 0.76 CYP2A6 (0.32)
SCHEMBL1733533 0.76 TRPM4 (0.37) CYP1A2ALDH1A1MEN1KMT2ACASP7
SCHEMBL2257839 0.76 CYP3A4 (0.50) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL644725 0.74 CYP2A6 (0.48) CYP1A2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL643621 0.74 CYP2A6 (0.48) ALDH1A1ESR2ESR1CYP3A4DYRK1A
SCHEMBL644839 0.74 CYP1A2 (0.48) CYP1A2ALDH1A1CA2NPC1RAB9A
SCHEMBL18242373 0.74
SCHEMBL645539 0.74 CYP2A6 (0.48) CYP1A2ALDH1A1CYP3A4HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP claimed
US-9371286-B2 Pharmaceutical composition with enhanced efficacy for inhibiting angiogenesis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-21 US claimed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US claimed
US-20140315947-A1 PHARMACEUTICAL COMPOSITION WITH ENHANCED EFFICACY FOR INHIBITING ANGIOGENESIS INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-10-23 US claimed
US-8569505-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US claimed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US claimed
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 EP claimed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US claimed
EP-2576543-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS Laboratorios del Dr. Esteve S.A. (ES) 2013-04-10 EP claimed
EP-1673357-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-28 EP claimed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US claimed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005072132-A2 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO claimed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US claimed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO claimed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US claimed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CYP1A2 4265/4885ALDH1A1 2811/4885MEN1 2329/4885
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 CYP1A2 101/4885ALDH1A1 848/4885MEN1 4654/4885
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 CYP1A2 1755/4885ALDH1A1 1884/4885MEN1 4110/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CYP1A2 4265/4885ALDH1A1 2811/4885MEN1 2329/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CYP1A2 238/4885ALDH1A1 2299/4885MEN1 4832/4885
US-20140315947-A1 PHARMACEUTICAL COMPOSITION WITH ENHANCED EFFICACY FOR INHIBITING ANGIOGENESIS UQCRB, UQCRC1, UQCRC2 CYP1A2 3693/4885ALDH1A1 2079/4885MEN1 4790/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 CYP1A2 1977/4885ALDH1A1 1371/4885MEN1 4683/4885

“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.