SCHEMBL4036976

SCHEMBL4036976

Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc3ccccc3c2CC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARG P37231 10/20 0.49
PPARA Q07869 10/20 0.49
KDR P35968 1/20 0.47
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL4035167 0.85 FFAR1 (0.62) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4034476 0.84 FFAR1 (0.71) FFAR1PPARGPPARAKDR
SCHEMBL4032539 0.83 KDR (0.56) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4032862 0.82 FFAR1 (0.55) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4035299 0.82 FFAR1 (0.55) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4029056 0.81 MAPT (0.57) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4031811 0.81 FFAR1 (0.59) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4034555 0.80 FFAR1 (0.50) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4032011 0.79 FFAR1 (0.70) FFAR1PPARGPPARAKDRMAPT
SCHEMBL4029610 0.79 FFAR1 (0.55) FFAR1PPARGPPARAKDRMAPT

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 4/4885PPARG 593/4885PPARA 156/4885

“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.