SCHEMBL18258702

SCHEMBL18258702

CCCc1cccc(CCC)c1N=C=Nc1c(CCC)cccc1CCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
DAO P14920 1/20 0.35
HTR1A P08908 1/20 0.33
GRM5 P41594 1/20 0.33
KCNH2 Q12809 1/20 0.32
ELANE P08246 2/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
IAPP P10997 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CTSG P08311 1/20 0.30

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
SCHEMBL18245197 0.90 GABRA1 (0.47) GABRA1GABRB2KCNH2ALOX5PTGS2
SCHEMBL14321647 0.88 LIPG (0.46) GABRA1GABRB2KCNH2ALOX5PTGS2
SCHEMBL18244821 0.85 GABRA1 (0.47) GABRA1GABRB2DAOHTR1AGRM5
SCHEMBL18244936 0.85 GABRA1 (0.71) GABRA1GABRB2DAOHTR1AGRM5
SCHEMBL6942558 0.85 GABRA1 (0.74) GABRA1GABRB2DAOHTR1AGRM5
SCHEMBL159089 0.84 GABRA1 (0.72) GABRA1GABRB2HTR1AKCNH2
SCHEMBL19426912 0.83 GABRA1 (0.42) GABRA1GABRB2KCNH2LIPGPPARG
SCHEMBL10613392 0.82 GABRA1 (0.81) GABRA1GABRB2DAOKCNH2ELANE
SCHEMBL18245232 0.80 GABRA1 (0.40) GABRA1GABRB2KCNH2ALOX5PTGS2
SCHEMBL20184789 0.76 ALOX5 (0.33) GABRA1GABRB2ALOX5

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 8 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
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN 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
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

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-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 1658/4885DAO 30/4885
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 1658/4885DAO 30/4885

“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.