SCHEMBL4035103

SCHEMBL4035103

Cc1oc(-c2ccccc2)nc1COc1cc(COc2ncccc2C#N)on1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
FFAR1 O14842 1/20 0.40
GABRA5 P31644 4/20 0.39
PPARG P37231 8/20 0.37
PPARA Q07869 8/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GRM5 P41594 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
SCHEMBL4034022 0.87 KDR (0.42) KDRFFAR1GABRA5PPARGPPARA
SCHEMBL4034587 0.84 KDR (0.51) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL4031015 0.83 KDR (0.43) KDRFFAR1GABRA5PPARGPPARA
SCHEMBL4034092 0.83 PPARG (0.47) KDRFFAR1PPARGPPARA
SCHEMBL4034776 0.83 GABRA5 (0.39) GABRA5HRH3NPC1RAB9AGABRA1
SCHEMBL4035258 0.82 FFAR1 (0.56) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL4037802 0.82 KDM4E (0.50) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL4029510 0.79 LMNA (0.46) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL4038160 0.78 KDR (0.53) KDRFFAR1PPARGPPARAKDM4E
SCHEMBL4030301 0.78 KDR (0.61) KDRFFAR1PPARGPPARAKDM4E

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 4/4885GABRA5 969/4885

“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.