SCHEMBL3413338

SCHEMBL3413338

COC(=O)CC1CCc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.55
ESR2 Q92731 7/20 0.55
PPARD Q03181 7/20 0.48
HSD17B1 P14061 3/20 0.47
NQO2 P16083 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
FFAR1 O14842 1/20 0.44
MIF P14174 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL3747845 1.00 ESR1 (0.55) ESR1ESR2PPARDHSD17B1NQO2
SCHEMBL13047955 1.00 ESR1 (0.55) ESR1ESR2PPARDHSD17B1NQO2
SCHEMBL15687648 0.92 ESR1 (0.57) ESR1ESR2PPARDHSD17B1FFAR1
SCHEMBL3407376 0.89 MTNR1A (0.57) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL3407380 0.89 MTNR1A (0.57) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL3412841 0.89 MTNR1A (0.57) ESR1ESR2NQO2MTNR1AMTNR1B
SCHEMBL820900 0.86 HSD17B1 (0.61) ESR1ESR2PPARDHSD17B1NQO2
SCHEMBL30515129 0.86 HSD17B1 (0.61) ESR1ESR2PPARDHSD17B1NQO2
SCHEMBL12035621 0.86 HSD17B1 (0.61) ESR1ESR2PPARDHSD17B1NQO2
SCHEMBL2464209 0.86 HSD17B1 (0.61) ESR1ESR2PPARDHSD17B1NQO2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP disclosed
US-9988379-B2 GPR40 receptor agonist, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG CHEM, LTD. (KR) 2018-06-05 US disclosed
US-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEM, LTD. (KR) 2015-10-15 US disclosed
EP-2917180-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2015-09-16 EP disclosed
WO-2014073904-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2014-05-15 WO disclosed
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 (3 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-20150291584-A1 GPR40 RECEPTOR AGONIST, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT GPR119, GPR65, GPR55 ESR1 354/4885ESR2 771/4885PPARD 192/4885
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS ESR1 2100/4885ESR2 1600/4885PPARD 159/4885
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 ESR1 85/4885ESR2 222/4885PPARD 141/4885

“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.