SCHEMBL3411463

SCHEMBL3411463

CC1(C)Cc2ccc(O)cc2C1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
OPRK1 P41145 5/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
OPRD1 P41143 3/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3409319 0.86 MIF (0.37) OPRM1OPRK1MAOAMAOBOPRD1
SCHEMBL3406867 0.86 MIF (0.37) OPRM1OPRK1MAOAMAOBOPRD1
SCHEMBL3406871 0.86 MIF (0.37) OPRM1OPRK1MAOAMAOBOPRD1
SCHEMBL3408615 0.69 ESR1 (0.45) OPRM1OPRK1OPRD1NQO2MTNR1A
SCHEMBL22992538 0.69 PSEN1 (0.38)
SCHEMBL22992537 0.69 PSEN1 (0.38)
SCHEMBL22992539 0.69 PSEN1 (0.38)
SCHEMBL6794698 0.68 MEN1 (0.40) OPRM1OPRK1MAOAMAOBOPRD1
SCHEMBL3406693 0.68 ESR1 (0.51) MAOAMAOBNQO2MTNR1AMTNR1B
SCHEMBL3745076 0.68 ESR1 (0.51) MAOAMAOBNQO2MTNR1AMTNR1B

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-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO 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 (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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS OPRM1 3477/4885OPRK1 2112/4885MAOA 1014/4885

“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.