SCHEMBL4034587

SCHEMBL4034587

Cc1oc(-c2ccccc2)nc1COc1cc(COc2ncccc2CO)on1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
FFAR1 O14842 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PPARG P37231 9/20 0.40
PPARA Q07869 9/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 3/20 0.38
PPARD Q03181 1/20 0.37

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
SCHEMBL4037802 0.90 KDM4E (0.50) KDRFFAR1KDM4EPPARGPPARA
SCHEMBL4034022 0.88 KDR (0.42) KDRFFAR1NPC1RAB9AKDM4E
SCHEMBL4030301 0.85 KDR (0.61) KDRFFAR1NPC1RAB9AKDM4E
SCHEMBL4031015 0.84 KDR (0.43) KDRFFAR1KDM4EPPARGPPARA
SCHEMBL4035103 0.84 KDR (0.43) KDRFFAR1NPC1RAB9AKDM4E
SCHEMBL4031108 0.83 KDR (0.51) KDRFFAR1PPARGPPARA
SCHEMBL4032658 0.82 FFAR1 (0.59) KDRFFAR1PPARGPPARATP53
SCHEMBL6998371 0.79 KDM4E (0.53) KDRFFAR1KDM4EPPARGPPARA
SCHEMBL4030449 0.79 KDR (0.51) KDRFFAR1KDM4EPPARGPPARA
SCHEMBL4038160 0.78 KDR (0.53) KDRFFAR1NPC1RAB9AKDM4E

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 4 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-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 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-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 (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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK KDR 1328/4885FFAR1 4/4885NPC1 614/4885

“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.