SCHEMBL14655201

SCHEMBL14655201

CCCCc1cc(OC)c(OC)cc1CC

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
HMGCR P04035 1/20 0.50
HTR2A P28223 2/20 0.47
ALOX5 P09917 7/20 0.47
PTGS2 P35354 4/20 0.46
PPARA Q07869 1/20 0.41
CYP3A4 P08684 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
SCHEMBL12250880 0.87 HMGCR (0.64) TAAR1HMGCRHTR2APTGS2CYP3A4
SCHEMBL24119648 0.85 HTR2A (0.61) TAAR1HMGCRHTR2AALOX5PTGS2
SCHEMBL13868273 0.84 TAAR1 (0.58) TAAR1HMGCRHTR2APTGS2CYP3A4
SCHEMBL19751445 0.81 HTR2A (0.54) TAAR1HMGCRHTR2AALOX5PTGS2
SCHEMBL23222349 0.80 HMGCR (0.72) TAAR1HMGCRHTR2AALOX5CYP3A4
SCHEMBL31456015 0.79 ALDH1A1 (0.49) TAAR1HTR2AALOX5PTGS2PPARA
SCHEMBL13964126 0.79 TAAR1 (0.60) TAAR1HMGCRHTR2ACYP3A4
SCHEMBL25143280 0.79 HMGCR (0.50) TAAR1HMGCRPTGS2CYP3A4
SCHEMBL19751507 0.78 HTR2A (0.51) TAAR1HMGCRHTR2AALOX5PTGS2
SCHEMBL25434544 0.77 HTR2A (0.46) TAAR1HMGCRHTR2AALOX5PTGS2

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-20170226096-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-20130023522-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2013-01-24 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-20170226096-A1 BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG TAAR1 1717/4885HMGCR 4671/4885HTR2A 211/4885
US-20130023522-A1 BENZAMIDES FSHR, GNRHR, LHCGR TAAR1 1991/4885HMGCR 4372/4885HTR2A 327/4885

“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.