SCHEMBL13616740

SCHEMBL13616740

CCOC(=O)/C=C1\CCCc2cc(OCc3ccc(OC)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
MAOA P21397 9/20 0.52
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2432831 0.89 CYP19A1 (0.51) MAPTALDH1A1CYP19A1CYP11B2KMT2A
SCHEMBL3004692 0.89 CYP19A1 (0.51) MAPTALDH1A1CYP19A1CYP11B2KMT2A
SCHEMBL3854161 0.87 MAOA (0.53) MAOBMAOARXRARXRBRXRG
SCHEMBL3966174 0.84 MAOB (0.51) MAOBMAOAALDH1A1CYP19A1CYP11B2
SCHEMBL3966171 0.84 MAOB (0.51) MAOBMAOAALDH1A1CYP19A1CYP11B2
SCHEMBL13110402 0.82 MAOA (0.48) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL821438 0.82 NQO2 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16048803 0.82 NQO2 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9290663 0.80 NQO2 (0.53) MAOBRXRANPC1RAB9AMAPT
SCHEMBL8514302 0.80 NQO2 (0.53) MAOBRXRANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
WO-2007106469-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-09-20 WO disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO 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 (3 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-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX MAOB 1610/4885MAOA 1264/4885RXRA 218/4885
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders GOT2, PC, GOT1 MAOB 603/4885MAOA 737/4885RXRA 528/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX MAOB 1610/4885MAOA 1264/4885RXRA 218/4885

“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.