SCHEMBL8404533

SCHEMBL8404533

Cc1cc2c(C)cccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.57
CYP2A6 P11509 4/20 0.57
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
UHRF1 Q96T88 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR3 P46089 1/20 0.38
FGFR1 P11362 1/20 0.37
PSMD14 O00487 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8404524 0.83 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29404615 0.83 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL28514949 0.82 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1564322 0.80 CYP1A2 (0.53) CYP1A2CYP2A6KDM4ETSHRGPR3
SCHEMBL2171256 0.80 CYP1A2 (0.53) CYP1A2CYP2A6ALDH1A1UHRF1KDM4E
SCHEMBL23935936 0.80 PDPK1 (0.53) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL12330380 0.80 CYP1A2 (0.53) CYP1A2CYP2A6UHRF1KDM4EGPR3
SCHEMBL18379303 0.80 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL19044152 0.80 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1348625 0.80 CYP1A2 (0.53) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125949-B1 DENDRONIZED METALLIC OXIDE NANOPARTICLES, A PROCESS FOR PREPARING THE SAME AND THEIR USES CENTRE NAT RECH SCIENT (FR) 2023-11-08 EP disclosed
EP-1857521-B2 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEM CORP (JP) 2021-12-22 EP disclosed
US-9865820-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-09 US disclosed
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-20160351817-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-01 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
EP-2036902-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2009-03-18 EP disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
EP-1857521-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR Mitsubishi Chemical Corporation (JP) 2007-11-21 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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 (4 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-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R CYP1A2 2228/4885CYP2A6 1486/4885ALDH1A1 2656/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP1A2 4427/4885CYP2A6 3831/4885ALDH1A1 2149/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 CYP1A2 3219/4885CYP2A6 3698/4885ALDH1A1 4226/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 CYP1A2 1655/4885CYP2A6 1111/4885ALDH1A1 187/4885

“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.