SCHEMBL20184789

SCHEMBL20184789

CCCc1cc(CCC)c(N=C=Nc2c(CCC)cc(CCC)cc2CCC)c(CCC)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HMGCR P04035 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN11 Q06124 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
SCHEMBL2045848 0.86 HPGD (0.41) ALDH1A1CYP3A4
SCHEMBL20184815 0.81 NAAA (0.38) CYP3A4
SCHEMBL11414504 0.76 GABRA1 (0.56) GABRA1GABRB2
SCHEMBL20184775 0.76 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL18258702 0.76 GABRA1 (0.52) ALOX5GABRA1GABRB2
SCHEMBL18245722 0.74 CNR1 (0.41) ALOX5GABRA1GABRB2CNR1CNR2
SCHEMBL11355625 0.72 HTT (0.37) ALOX5GABRA1GABRB2CNR1CNR2
SCHEMBL11684526 0.72 HPGD (0.37) ALOX5GABRA1GABRB2CNR1CNR2
SCHEMBL27755687 0.71 HPGD (0.39) ALDH1A1CYP3A4
SCHEMBL13571496 0.71 GABRA1 (0.47) GABRA1GABRB2ALDH1A1CYP3A4

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 4 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-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

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 ALOX5 878/4885GABRA1 863/4885GABRB2 1658/4885
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR REV1, RER1, CBR1 ALOX5 878/4885GABRA1 863/4885GABRB2 1658/4885

“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.