SCHEMBL9909376

SCHEMBL9909376

COC(=O)C[C@@H](c1ccccc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.64
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
KCNA3 P22001 1/20 0.51
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL5522123 1.00 KCNA5 (0.64) KCNA5PLA2G1BATG4BKCNA3TAAR1
SCHEMBL12473253 0.91 KCNA5 (0.65) KCNA5KMT2AALDH1A1CA12CA7
SCHEMBL17966191 0.84 KCNA5 (0.58) KCNA5KMT2AALDH1A1CA12CA7
SCHEMBL27580072 0.84 KCNA5 (0.51) KCNA5PLA2G1BATG4BKCNA3TAAR1
SCHEMBL12405327 0.84 KCNA5 (0.58) KCNA5KMT2AALDH1A1HPGD
SCHEMBL2431870 0.84 KCNA5 (0.48) KCNA5PLA2G1BATG4BKMT2ACA12
SCHEMBL16624926 0.83 KCNA5 (0.58) KCNA5KMT2AALDH1A1
SCHEMBL5231181 0.83 TSHR (0.50) KCNA5PLA2G1BATG4BKCNA3TAAR1
SCHEMBL2498065 0.82 KCNA5 (0.47) KCNA5MAPTRAB9A
SCHEMBL2504421 0.82 KCNA5 (0.47) KCNA5MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNA5 1156/4885PLA2G1B 558/4885ATG4B 1435/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 KCNA5 1974/4885PLA2G1B 546/4885ATG4B 726/4885

“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.