SCHEMBL3759065

SCHEMBL3759065

CC[C@@]1(CC(=O)OC)CCc2ccc(O)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.49
ESR1 P03372 4/20 0.49
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
OPRM1 P35372 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRD1 P41143 4/20 0.39
SOD1 P00441 1/20 0.36

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
SCHEMBL13048527 1.00 ESR2 (0.49) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL3747811 1.00 ESR2 (0.49) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL3431277 0.84 ESR2 (0.52) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL14137087 0.83 DGAT1 (0.51) ESR2ESR1
SCHEMBL3411469 0.82 ALDH1A1 (0.47) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL3408957 0.82 ALDH1A1 (0.47) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL3408960 0.82 ALDH1A1 (0.47) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL13048585 0.77 ALDH1A1 (0.45) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL3410526 0.77 ALDH1A1 (0.45) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL3410525 0.77 ALDH1A1 (0.45) ESR2ESR1ALDH1A1LMNACYP3A4

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 7 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
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US 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 ESR2 1600/4885ESR1 2100/4885ALDH1A1 309/4885

“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.