SCHEMBL4034555

SCHEMBL4034555

COCOc1ccc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(CC#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
KDR P35968 1/20 0.49
PPARG P37231 11/20 0.47
PPARA Q07869 11/20 0.47
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
MAPT P10636 6/20 0.44
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4032539 0.94 KDR (0.56) FFAR1KDRPPARGPPARAPTPN2
SCHEMBL4035299 0.89 FFAR1 (0.55) FFAR1KDRPPARGPPARAPTPN2
SCHEMBL4032862 0.80 FFAR1 (0.55) FFAR1KDRPPARGPPARAPTPN2
SCHEMBL4029644 0.80 MAOB (0.48) MAPTCYP2C9MEN1RAB9AKMT2A
SCHEMBL4036976 0.80 FFAR1 (0.52) FFAR1KDRPPARGPPARAPTPN2
SCHEMBL4037251 0.79 FFAR1 (0.54) FFAR1KDRPPARGPPARAMAPT
SCHEMBL4031396 0.79 FFAR1 (0.64) FFAR1KDRPPARGPPARAPTPN2
SCHEMBL4030808 0.79 FFAR1 (0.54) FFAR1KDRPPARGPPARAMAPT
SCHEMBL4029610 0.78 FFAR1 (0.55) FFAR1KDRPPARGPPARAMAPT
SCHEMBL4034488 0.78 FFAR1 (0.62) FFAR1KDRPPARGPPARAMAPT

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 FFAR1 4/4885KDR 1328/4885PPARG 593/4885

“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.