SCHEMBL10729323

SCHEMBL10729323

CCOC(=O)CCc1cccc(OCOC)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
PPARG P37231 3/20 0.56
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
FFAR1 O14842 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SYK P43405 2/20 0.43
P2RY10 O00398 1/20 0.42

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
SCHEMBL3902689 0.92 PPARA (0.60) PPARAPPARGCYP4F2CYP4A11FFAR1
SCHEMBL11006135 0.89 PPARA (0.51) PPARAPPARGCYP4F2CYP4A11FFAR1
SCHEMBL10444982 0.89 PPARA (0.61) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL2354861 0.88 FFAR4 (0.60) PPARAPPARGFFAR1
SCHEMBL11624631 0.87 SIRT2 (0.47) PPARAPPARGFFAR1
SCHEMBL4128970 0.86 PPARA (0.52) PPARAPPARGFFAR1TDP1MAPK1
SCHEMBL2352290 0.86 FFAR1 (0.48) PPARAPPARGFFAR1
SCHEMBL1802183 0.86 ALDH1A1 (0.56) PPARAPPARGCYP4F2CYP4A11TDP1
SCHEMBL2349696 0.85 FFAR1 (0.47) PPARAPPARGFFAR1
SCHEMBL11006127 0.85 PPARA (0.50) PPARAPPARGCYP4F2CYP4A11FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884836-B2 2-substituted-5-hydroxy-4H-chromen-4-ones as novel ligands for the serotonin receptor 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-02-06 US disclosed
US-20170029399-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY 2017-02-02 US disclosed
WO-2015116460-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-08-06 WO disclosed
US-4649141-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-10 US disclosed
US-4639519-A 2-substituted alkylaminopyrimidones useful as H2 -antagonists and antiinflamatory agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-01-27 US disclosed
US-4558128-A ANTIHISTAMINE, ANTIINFLAMMATORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-12-10 US disclosed
US-4539207-A Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-03 US disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
US-4439435-A PYRIMIDONE OR PYRIMID-THIONE DERIVATIVES, HISTAMINE ANTAGONIST, ANTIINFLAMMATORY SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1984-03-27 US disclosed
EP-0013071-B1 PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-16 EP disclosed
US-4305945-A Isoureas and isothioureas SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-15 US disclosed
EP-0003677-B1 PYRIMIDONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-11 EP disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 US disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
EP-0007232-A1 Iso(thio)ureas, processes for their preparation and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-23 EP disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP 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-20170029399-A1 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B) HTR2B, HTR3B, HTR4 PPARA 1714/4885PPARG 1075/4885CYP4F2 344/4885

“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.