SCHEMBL1354182

SCHEMBL1354182

Cc1c(O)ccc(O)c1C(c1ccccc1)(C(C)C)C(CN)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TAAR1 Q96RJ0 4/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KIF11 P52732 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
SCHEMBL5095302 0.75
SCHEMBL6757095 0.74 KIF11 (0.34) ESR1ESR2CYP1A2CYP2D6TAAR1
SCHEMBL6759368 0.73
SCHEMBL6760704 0.69 CHRM3 (0.30)
SCHEMBL11044685 0.64 CYP2D6 (0.46) ESR1ESR2CYP1A2CYP2D6TAAR1
SCHEMBL28761512 0.62 ALDH1A1 (0.48) ESR1ESR2CYP1A2CYP2D6KIF11
SCHEMBL10346187 0.62 TAAR1 (0.42) CYP1A2CYP2D6TAAR1SLC6A2SLC6A4
SCHEMBL29757327 0.61 CYP2D6 (0.45) ESR1ESR2CYP1A2CYP2D6KIF11
Bicarbonate SCHEMBL27539068 0.61 CYP2D6 (0.55) CYP1A2CYP2D6KIF11
SCHEMBL10346776 0.60 TAAR1 (0.44) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3

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
WO-2011141932-A2 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 WO claimed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS HPD, COMT, PNMT ESR1 1329/4885ESR2 1609/4885CYP1A2 33/4885

“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.