SCHEMBL3913216

SCHEMBL3913216

COC(=O)CCc1ccc(OCc2ccc(CN(CCc3ccccn3)c3nc(-c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.57
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
RAF1 P04049 1/20 0.43
MAP2K1 Q02750 1/20 0.43
KARS1 Q15046 1/20 0.42
PPARD Q03181 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GSTO1 P78417 1/20 0.41
PTPRB P23467 1/20 0.41
VDR P11473 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
SCHEMBL3913973 0.92 FFAR1 (0.67) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL3917024 0.92 NPSR1 (0.53) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL1745481 0.90 NPSR1 (0.47) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL1745444 0.88 KMT2A (0.48) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL1744677 0.88 FFAR1 (0.47) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL3917006 0.88 FFAR1 (0.46) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL1745386 0.87 ATP4A (0.45) FFAR1NPSR1KMT2AMEN1MAPT
SCHEMBL3911602 0.87 NPSR1 (0.51) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL3912168 0.86 PPARD (0.44) FFAR1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL3912639 0.86 PPARD (0.44) FFAR1NPSR1KMT2AMEN1ALDH1A1

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-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 FFAR1 3/4885NPSR1 169/4885KMT2A 3549/4885

“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.