SCHEMBL4845837

SCHEMBL4845837

Cc1oc(-c2ccc(CC(=O)O)cc2)nc1COc1cc(CO)on1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
KDR P35968 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PPARG P37231 13/20 0.45
PPARA Q07869 13/20 0.45
CYP2C9 P11712 4/20 0.45
KCNH2 Q12809 4/20 0.45
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4030301 0.86 KDR (0.61) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL4031813 0.81 KDR (0.64) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL4846802 0.79 KDR (0.53) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL6998371 0.79 KDM4E (0.53) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL7487642 0.78 FFAR1 (0.57) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL5403576 0.77 FFAR1 (0.79) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL4037802 0.76 KDM4E (0.50) FFAR1KDRKDM4EPPARGPPARA
SCHEMBL4038300 0.76 PPARG (0.56) KDRPPARGPPARA
SCHEMBL4848402 0.76 HSD17B10 (0.43) FFAR1PPARGPPARAMAPT
SCHEMBL4032164 0.75 FFAR1 (0.76) FFAR1KDRKDM4EPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 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

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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 FFAR1 771/4885KDR 2335/4885KDM4E 719/4885

“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.