SCHEMBL13616733

SCHEMBL13616733

COC(=O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.52
ACACB O00763 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNA5 P22460 2/20 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
SCHEMBL4661797 0.89 FFAR1 (0.58) FFAR1HTTADRB2
SCHEMBL13616853 0.89 FFAR1 (0.58) FFAR1HTTADRB2
SCHEMBL13616726 0.85 HTT (0.39) FFAR1ACACBALDH1A1HTT
SCHEMBL7279728 0.81 KCNA5 (0.44) ALDH1A1POLBKCNA5
SCHEMBL13616734 0.81 FFAR1 (0.54) FFAR1ALDH1A1
SCHEMBL13118146 0.78 AHR (0.43) FFAR1KCNA5
SCHEMBL13318255 0.78 AHR (0.43) FFAR1KCNA5
SCHEMBL13318256 0.78 AHR (0.43) FFAR1KCNA5
SCHEMBL1508639 0.76 FFAR1 (0.79) FFAR1
SCHEMBL13616722 0.76 FFAR1 (0.56) FFAR1

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 7 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-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 (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-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885ACACB 81/4885ALDH1A1 413/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885ACACB 81/4885ALDH1A1 413/4885

“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.