SCHEMBL6345832

SCHEMBL6345832

Cc1cccc2cc(O)c(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
CYP2A6 P11509 3/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
DAO P14920 2/20 0.47
DDO Q99489 2/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
TRPM4 Q8TD43 1/20 0.46
TRPA1 O75762 2/20 0.44
ATM Q13315 1/20 0.44
TLR8 Q9NR97 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL19425721 0.84 HSD17B1 (0.55) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL8531852 0.84 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL598230 0.83 CYP1A2 (0.65) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2964707 0.81 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29853939 0.80 CYP1A2 (0.75) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL10560099 0.80 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL11629826 0.80 CYP1A2 (0.75) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL24895086 0.79 GRIN2D (0.62) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL14381082 0.79 GRIN2D (0.72) CYP1A2ALDH1A1HPGDHSD17B10GRIN2D
SCHEMBL29845609 0.78 CYP1A2 (0.60) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
US-20170217999-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2017-08-03 US disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 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 (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-20170217999-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, GRIN1 CYP1A2 2409/4885CYP2A6 2166/4885ALDH1A1 1177/4885
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R CYP1A2 3099/4885CYP2A6 955/4885ALDH1A1 3499/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 CYP1A2 299/4885CYP2A6 12/4885ALDH1A1 1597/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE CYP1A2 1090/4885CYP2A6 182/4885ALDH1A1 1189/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R CYP1A2 3099/4885CYP2A6 955/4885ALDH1A1 3499/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A CYP1A2 4406/4885CYP2A6 1474/4885ALDH1A1 3257/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R CYP1A2 3453/4885CYP2A6 1150/4885ALDH1A1 3880/4885

“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.