SCHEMBL3412848

SCHEMBL3412848

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL18487247 0.91 NQO2 (0.40) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL20214124 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL7132014 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL3020728 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL6231957 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL3018149 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL2358334 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL20214720 0.88 ESR1 (0.55) ESR1ESR2CYP19A1SLC6A4SLC6A3
SCHEMBL13048165 0.87 MTNR1A (0.44) NQO2MTNR1AMTNR1BESR1ESR2
SCHEMBL3410091 0.87 MTNR1A (0.44) NQO2MTNR1AMTNR1BESR1ESR2

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 NQO2 373/4885MTNR1A 673/4885MTNR1B 654/4885

“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.