SCHEMBL2828343

SCHEMBL2828343

Cc1ccccc1C1CCN(Cc2ccc(COc3ccc(CCC(=O)O)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.55
FFAR4 Q5NUL3 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HRH3 Q9Y5N1 3/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52

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
SCHEMBL2826986 0.86 HRH3 (0.61) FFAR1FFAR4NPC1RAB9AHRH3
SCHEMBL2828226 0.84 FFAR1 (0.55) FFAR1FFAR4NPC1RAB9AHRH3
SCHEMBL13065796 0.83 LTA4H (0.61) FFAR1FFAR4NPC1RAB9AHRH3
SCHEMBL13887160 0.83 FFAR1 (0.54) FFAR1FFAR4HRH3
SCHEMBL2827595 0.83 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL2824000 0.81 FFAR1 (0.61) FFAR1FFAR4NPC1RAB9AHRH3
Trifluoroacetic Acid SCHEMBL2824716 0.79 FFAR1 (0.49) FFAR1FFAR4HRH3
SCHEMBL23074520 0.79 FFAR1 (0.49) FFAR1FFAR4NPC1RAB9AHRH3
Trifluoroacetic Acid SCHEMBL2827609 0.79 LTA4H (0.56) FFAR1FFAR4NPC1RAB9AHRH3
SCHEMBL21171936 0.78 FFAR1 (0.64) FFAR1FFAR4NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 FFAR1 2/4885FFAR4 6/4885NPC1 1092/4885

“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.