SCHEMBL9908242

SCHEMBL9908242

CC(C)[C@@H](CO)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
AOC3 Q16853 2/20 0.44
HTT P42858 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9604739 1.00 TRPA1 (0.52) TRPA1AOC3HTTTRPV3ALDH1A1
SCHEMBL21393295 0.88 TRPA1 (0.48) TRPA1AOC3HTTTRPV3ALDH1A1
SCHEMBL26869988 0.83 TRPA1 (0.44) TRPA1AOC3HTTTRPV3ALDH1A1
SCHEMBL19368227 0.80 TRPA1 (0.42) TRPA1AOC3HTTALDH1A1LMNA
SCHEMBL23086302 0.80 TRPA1 (0.39) TRPA1AOC3ALDH1A1LMNANPC1
SCHEMBL14256595 0.80 ACHE (0.41) ALDH1A1LMNATAAR1ESR1CYP1A2
SCHEMBL8737008 0.80 ACHE (0.41) ALDH1A1LMNATAAR1ESR1CYP1A2
SCHEMBL12872219 0.80 ESR1 (0.58) ALDH1A1LMNATAAR1KDM4EESR1
SCHEMBL7732261 0.80 ESR1 (0.46) TRPA1AOC3HTTALDH1A1LMNA
SCHEMBL17084078 0.80 ESR1 (0.46) TRPA1AOC3HTTALDH1A1LMNA

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
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 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-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 TRPA1 395/4885AOC3 4180/4885HTT 2719/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 TRPA1 137/4885AOC3 4673/4885HTT 482/4885

“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.