SCHEMBL18243267

SCHEMBL18243267

[O]CCCc1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.37
CES2 O00748 3/20 0.36
CACNA1H O95180 7/20 0.36
DAO P14920 2/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1G O43497 1/20 0.31
IDO1 P14902 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL18242653 0.94 GPR17 (0.36) GPR17CES2CACNA1HDAOCACNA1B
SCHEMBL18242579 0.88 GPR17 (0.39) GPR17CES2CACNA1HDAOCACNA1B
SCHEMBL18242703 0.80 CACNA1H (0.36) GPR17CES2CACNA1HCACNA1BCACNA1C
SCHEMBL18243397 0.79 CES2 (0.41) GPR17CES2CACNA1HDAOCACNA1B
SCHEMBL18242437 0.78 TAAR1 (0.39) DAOIDO1
SCHEMBL18242752 0.77
SCHEMBL18243408 0.76 DAO (0.52) CES2DAOIDO1
SCHEMBL18242802 0.75 CACNA1H (0.36) GPR17CES2CACNA1HDAOCACNA1B
SCHEMBL18242738 0.74
SCHEMBL18243457 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL 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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 GPR17 1731/4885CES2 1419/4885CACNA1H 3451/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GPR17 1731/4885CES2 1419/4885CACNA1H 3451/4885

“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.