SCHEMBL3408615

SCHEMBL3408615

O=C(O)CC1Cc2ccc(O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRK1 P41145 4/20 0.42
FFAR1 O14842 2/20 0.41
MEN1 O00255 2/20 0.40
GLA P06280 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NR1I2 O75469 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3411465 0.83 ESR1 (0.62) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL3413462 0.82 MIF (0.46) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL13047900 0.82 MIF (0.46) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL3411923 0.82 MIF (0.46) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL6642395 0.81 ITGB3 (0.53) MTNR1AMTNR1BOPRM1OPRK1FFAR1
SCHEMBL6643325 0.81 ITGB3 (0.53) MTNR1AMTNR1BOPRM1OPRK1FFAR1
SCHEMBL6646029 0.81 ITGB3 (0.53) MTNR1AMTNR1BOPRM1OPRK1FFAR1
SCHEMBL3406693 0.80 ESR1 (0.51) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL3745076 0.80 ESR1 (0.51) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL3404726 0.80 ESR1 (0.51) ESR1ESR2NQO2MTNR1AMTNR1B

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 ESR1 2100/4885ESR2 1600/4885NQO2 373/4885

“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.