SCHEMBL2827010

SCHEMBL2827010

CC(C)c1cccc(C(C)C)c1OC1CCN(Cc2ccc(COc3ccc(CCC(=O)O)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
NPC1 O15118 3/20 0.48
FFAR4 Q5NUL3 1/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL2824000 0.84 FFAR1 (0.61) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL2828226 0.81 FFAR1 (0.55) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL2828440 0.80 NPC1 (0.55) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL2827628 0.80 FFAR1 (0.54) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL2826986 0.77 HRH3 (0.61) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL2828343 0.75 FFAR1 (0.55) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL13065796 0.74 LTA4H (0.61) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL13065060 0.73 LTA4H (0.75) FFAR1RAB9ASMN1; SMN2HRH3NPC1
SCHEMBL2825122 0.73 FFAR1 (0.70) FFAR1RAB9AHRH3NPC1FFAR4
SCHEMBL2823949 0.73 LTA4H (0.69) FFAR1RAB9ASMN1; SMN2HRH3NPC1

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 2/4885RAB9A 3353/4885SMN1; SMN2 2362/4885

“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.