SCHEMBL4848002

SCHEMBL4848002

COC(OC)c1nc(-c2ccccc2)oc1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
KDR P35968 1/20 0.41
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PPARA Q07869 2/20 0.38
TARBP2 Q15633 2/20 0.38
TDO2 P48775 1/20 0.37
TOP2A P11388 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL4030911 0.84 ALDH1A1 (0.41) KDM4EALDH1A1TSHRRAB9ANPC1
SCHEMBL4845287 0.80 FFAR1 (0.42) KDRALDH1A1TSHRPPARAPPARG
SCHEMBL4848598 0.76 TSHR (0.34) KDM4EKDRALDH1A1TSHRRAB9A
SCHEMBL6377222 0.74 KDM4E (0.51) KDM4EKDRNOTUMRAB9ANPC1
SCHEMBL4029802 0.73 TSHR (0.38) KDM4EALDH1A1TSHRRAB9ANPC1
SCHEMBL13007419 0.72 KDM4E (0.63) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6606425 0.72 KDM4E (0.49) KDM4EKDRNOTUMALDH1A1TSHR
SCHEMBL4847942 0.71 FFAR1 (0.63) KDRPPARAPPARG
SCHEMBL4847998 0.70 KDM4E (0.48) KDM4EKDRNOTUMALDH1A1TSHR
SCHEMBL4034186 0.70 PPARA (0.47) KDM4EKDRNOTUMALDH1A1TSHR

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 KDM4E 719/4885KDR 2335/4885NOTUM 151/4885

“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.