SCHEMBL4029798

SCHEMBL4029798

COCOCc1nc(-c2ccccc2)oc1C=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.37
HPGD P15428 3/20 0.36
PPARA Q07869 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PPARG P37231 3/20 0.36
TSHR P16473 2/20 0.36
KDR P35968 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TARBP2 Q15633 1/20 0.34
PPARD Q03181 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1932542 0.87 ALDH1A1 (0.40) KDM4ERAB9AHPGDALDH1A1HSD17B10
SCHEMBL4852553 0.79 KDM4E (0.48) KDM4ERAB9AHPGDPPARAALDH1A1
SCHEMBL4847998 0.77 KDM4E (0.48) KDM4ERAB9AFFAR1HPGDPPARA
SCHEMBL4030907 0.76 PPARA (0.42) KDM4ERAB9AFFAR1HPGDPPARA
SCHEMBL4845281 0.73 FFAR1 (0.43) KDM4EFFAR1PPARAALDH1A1PPARG
SCHEMBL6801285 0.71 RAB9A (0.38) KDM4ERAB9AFFAR1HPGDPPARA
SCHEMBL15265475 0.70 GAA (0.50) KDM4ERAB9AHPGDALDH1A1PPARG
SCHEMBL4852058 0.70 FFAR1 (0.59) FFAR1PPARAPPARGKDRMAPT
SCHEMBL4848609 0.70 TSHR (0.39) KDM4ERAB9AFFAR1PPARAALDH1A1
SCHEMBL4029802 0.70 TSHR (0.38) KDM4ERAB9AHPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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 (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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK KDM4E 570/4885RAB9A 3908/4885FFAR1 4/4885
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 KDM4E 1421/4885RAB9A 1995/4885FFAR1 14/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDM4E 719/4885RAB9A 1036/4885FFAR1 771/4885

“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.