SCHEMBL18245197

SCHEMBL18245197

CCCCc1cccc(CCCC)c1N=C=Nc1c(CCCC)cccc1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
KCNH2 Q12809 2/20 0.37
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 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
SCHEMBL14321647 0.94 LIPG (0.46) GABRA1GABRB2LIPGALOX5PTGS2
SCHEMBL18258702 0.90 GABRA1 (0.52) GABRA1GABRB2LIPGALOX5PTGS2
SCHEMBL29529391 0.85 KCNN2 (0.35) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL2048862 0.85 KCNN2 (0.35) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL18244912 0.85 GABRA1 (0.67) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL18245232 0.79 GABRA1 (0.40) GABRA1GABRB2LIPGALOX5PTGS2
SCHEMBL159089 0.79 GABRA1 (0.72) GABRA1GABRB2CYP3A4KCNH2
SCHEMBL29619878 0.78 CYP3A4 (0.54) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL3820757 0.78 CYP3A4 (0.54) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL2045848 0.78 HPGD (0.41) CYP3A4PTGS2TYRTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327002-B1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-08-19 EP disclosed
US-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-01-03 US disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
CN-106414461-B Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent 富士胶片和光纯药株式会社 2018-09-11 CN disclosed
EP-3327002-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2018-05-30 EP disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US 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-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator REV1, RER1, CBR1 GABRA1 863/4885GABRB2 1658/4885CYP3A4 3181/4885
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX GABRA1 420/4885GABRB2 932/4885CYP3A4 3597/4885
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR REV1, RER1, CBR1 GABRA1 863/4885GABRB2 1658/4885CYP3A4 3181/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 GABRA1 774/4885GABRB2 1256/4885CYP3A4 4008/4885

“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.