SCHEMBL3408957

SCHEMBL3408957

COC(=O)CC1(C)CCc2ccc(O)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
NR1H2 P55055 5/20 0.43
NR1H3 Q13133 5/20 0.43
SOD1 P00441 1/20 0.39
OPRM1 P35372 8/20 0.39
OPRK1 P41145 8/20 0.39
OPRD1 P41143 7/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
POLA1 P09884 2/20 0.38

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
SCHEMBL3408960 1.00 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3411469 1.00 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3410525 0.92 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3410526 0.92 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL13048585 0.92 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3411510 0.84 ESR1 (0.49) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3749487 0.84 ESR1 (0.49) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3759065 0.82 ESR2 (0.49) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL3747811 0.82 ESR2 (0.49) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL13048527 0.82 ESR2 (0.49) ALDH1A1LMNACYP3A4ESR1ESR2

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 ALDH1A1 309/4885LMNA 2636/4885CYP3A4 530/4885

“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.