SCHEMBL3629959

SCHEMBL3629959

COCOc1cc(C)c(-c2cccc(C=O)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 7/20 0.38
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL12641011 0.82 BRD4 (0.44) BRD4MAOAMAOBNPC1RAB9A
SCHEMBL3452654 0.81 MAOA (0.63) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1099011 0.80 FFAR1 (0.53) BRD4MAOAMAOBFFAR1
SCHEMBL12578309 0.80 BRD4 (0.42) BRD4MAOAMAOBNPC1RAB9A
SCHEMBL3630806 0.80 FFAR1 (0.53) BRD4MAOAMAOBNPC1RAB9A
SCHEMBL12578308 0.79 FFAR1 (0.47) BRD4FFAR1
SCHEMBL4385708 0.79 HDAC3 (0.38) BRD4MAOAMAOBNPC1RAB9A
SCHEMBL950478 0.79 NPC1 (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29955275 0.79 NPC1 (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL13117479 0.78 BRD4 (0.40) BRD4MAOAMAOBFFAR1

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 BRD4 1422/4885MAOA 4474/4885MAOB 4637/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 BRD4 2707/4885MAOA 4047/4885MAOB 4277/4885

“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.