SCHEMBL4819783

SCHEMBL4819783

CCOC(=O)C[C@@H]1CCCc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.56
ESR1 P03372 8/20 0.54
ESR2 Q92731 8/20 0.54
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
FFAR1 O14842 2/20 0.44
HTR6 P50406 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
PPARD Q03181 1/20 0.42
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MIF P14174 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL2358440 1.00 HSD17B1 (0.56) HSD17B1ESR1ESR2CYP11B1CYP11B2
SCHEMBL4632528 1.00 HSD17B1 (0.56) HSD17B1ESR1ESR2CYP11B1CYP11B2
SCHEMBL13110353 0.96 ESR1 (0.56) HSD17B1ESR1ESR2CYP11B1CYP11B2
SCHEMBL12035621 0.92 HSD17B1 (0.61) HSD17B1ESR1ESR2FFAR1PPARD
SCHEMBL2464209 0.92 HSD17B1 (0.61) HSD17B1ESR1ESR2FFAR1PPARD
SCHEMBL820900 0.92 HSD17B1 (0.61) HSD17B1ESR1ESR2FFAR1PPARD
SCHEMBL30515129 0.92 HSD17B1 (0.61) HSD17B1ESR1ESR2FFAR1PPARD
SCHEMBL15687648 0.87 ESR1 (0.57) HSD17B1ESR1ESR2FFAR1HTR6
SCHEMBL1698093 0.86 CYP11B1 (0.44) HSD17B1ESR1ESR2CYP11B1CYP11B2
SCHEMBL10202234 0.86 CYP11B1 (0.44) HSD17B1ESR1ESR2CYP11B1CYP11B2

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
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-8039484-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2011-10-18 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
EP-2001844-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-12-17 EP disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
WO-2007106469-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-09-20 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 (2 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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 HSD17B1 832/4885ESR1 1021/4885ESR2 351/4885
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders GOT2, PC, GOT1 HSD17B1 267/4885ESR1 3492/4885ESR2 1538/4885

“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.