SCHEMBL3631270

SCHEMBL3631270

CCOCCOc1cc(C)c(-c2cc(CO)ccc2OC)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.41
DHFR P00374 1/20 0.40
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSA P10619 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL3629776 0.80 MAPT (0.45) FFAR1L3MBTL1SMN1; SMN2POLBRAB9A
SCHEMBL17386312 0.79 FFAR1 (0.44) FFAR1
SCHEMBL17386065 0.78 FFAR1 (0.43) FFAR1
SCHEMBL17385806 0.78 FFAR1 (0.40) FFAR1
SCHEMBL1099545 0.76 FFAR1 (0.62) FFAR1
SCHEMBL17385942 0.76 FFAR1 (0.39) FFAR1
SCHEMBL1745368 0.76 FFAR1 (0.55) FFAR1DHFRCTSANPC1POLB
SCHEMBL5115587 0.75 FFAR1 (0.72) FFAR1
SCHEMBL3629864 0.71 ACACB (0.41) FFAR1SMN1; SMN2POLBS1PR1S1PR3
SCHEMBL7218058 0.70 MEN1 (0.51) HTTL3MBTL1SMN1; SMN2

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 13 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-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 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
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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 (2 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-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R FFAR1 5/4885DHFR 4660/4885HTT 2231/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FFAR1 5/4885DHFR 3563/4885HTT 2731/4885

“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.