SCHEMBL6801285

SCHEMBL6801285

COCOCc1nc(-c2ccccc2)oc1C(C)c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.35
PPARG P37231 7/20 0.35
PPARA Q07869 7/20 0.35
KDR P35968 1/20 0.34
MAPT P10636 2/20 0.33
FFAR1 O14842 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4847998 0.74 KDM4E (0.48) RAB9AKDM4ENPC1PPARGPPARA
SCHEMBL4845281 0.72 FFAR1 (0.43) KDM4EPPARGPPARAKDRMAPT
SCHEMBL4030907 0.71 PPARA (0.42) RAB9AKDM4ENPC1PPARGPPARA
SCHEMBL4029798 0.71 KDM4E (0.41) RAB9AKDM4EPPARGPPARAKDR
SCHEMBL4848609 0.65 TSHR (0.39) RAB9AKDM4EPPARGPPARAFFAR1
SCHEMBL4852058 0.65 FFAR1 (0.59) PPARGPPARAKDRMAPTFFAR1
SCHEMBL8135402 0.64 KDM4E (0.50) KDM4ENPC1PPARGPPARAFFAR1
SCHEMBL1931053 0.64 ALDH1A1 (0.53) KDM4EPPARGPPARAALDH1A1HPGD
SCHEMBL14089655 0.63 KDM4E (0.60) RAB9AKDM4ENPC1PPARGPPARA
SCHEMBL4033223 0.63 FFAR1 (0.47) PPARGPPARAFFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 RAB9A 1995/4885KDM4E 1421/4885NPC1 933/4885

“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.