SCHEMBL3632835

SCHEMBL3632835

CCOCCOc1ccc(-c2cc(CNc3ccc(CCC(=O)OC)cc3)ccc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
VDR P11473 1/20 0.42
FBP1 P09467 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DHFR P00374 1/20 0.39

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
SCHEMBL3630667 0.93 FFAR1 (0.56) FFAR1TDP1FFAR4
SCHEMBL3630888 0.91 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL3625937 0.90 MAPT (0.49) FFAR1KDM4EALDH1A1GAAMAPT
SCHEMBL3633032 0.83 FFAR1 (0.48) FFAR1TDP1FFAR4
SCHEMBL3622880 0.82 FFAR1 (0.54) FFAR1MAPTTDP1FFAR4
SCHEMBL3625971 0.77 FFAR1 (0.67) FFAR1FFAR4
SCHEMBL3628813 0.73 FFAR1 (0.60) FFAR1FFAR4
SCHEMBL3624523 0.72 FFAR1 (0.73) FFAR1FFAR4
SCHEMBL23810507 0.70 LMNA (0.55) FFAR1FFAR4
SCHEMBL13840567 0.70 FFAR1 (0.59) FFAR1TDP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FFAR1 5/4885KDM4E 1965/4885ALDH1A1 495/4885

“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.