SCHEMBL13630274

SCHEMBL13630274

COC(=O)CC(C)c1ccc(OC2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.45
FFAR1 O14842 2/20 0.43
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL13630281 0.90 FFAR1 (0.50) ACACBFFAR1LTB4RLTB4R2
SCHEMBL13616725 0.85 FFAR1 (0.60) FFAR1
SCHEMBL13616726 0.83 HTT (0.39) ACACBFFAR1EPHX2
SCHEMBL25626607 0.77 KCNA5 (0.44) FFAR1CYP3A4HPGDCYP2C19RAB9A
SCHEMBL3859107 0.77 FFAR1 (0.74) FFAR1
SCHEMBL3859108 0.77 FFAR1 (0.74) FFAR1
SCHEMBL3854719 0.77 FFAR1 (0.74) FFAR1
SCHEMBL9909362 0.76 HPGD (0.56) FFAR1CYP3A4HPGDCYP2C19RAB9A
SCHEMBL1894982 0.76 HPGD (0.56) FFAR1CYP3A4HPGDCYP2C19RAB9A
SCHEMBL9640926 0.76 HRH1 (0.52) CYP2C19EPHX2

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 3 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-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

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 ACACB 81/4885FFAR1 51/4885CYP3A4 641/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX ACACB 81/4885FFAR1 51/4885CYP3A4 641/4885

“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.