SCHEMBL3854355

SCHEMBL3854355

CCOC(=O)C[C@H]1CCCc2cc(OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 9/20 0.43
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL3854360 1.00 FFAR1 (0.45) FFAR1PPARAPPARGPPARDADRB3
SCHEMBL3965730 0.89 PPARD (0.46) FFAR1PPARAPPARGPPARDCYP11B1
SCHEMBL13616857 0.86 PPARD (0.57) FFAR1PPARAPPARGPPARD
SCHEMBL3857267 0.86 PPARD (0.57) FFAR1PPARAPPARGPPARD
SCHEMBL3969570 0.84 PPARD (0.52) FFAR1PPARAPPARD
SCHEMBL2466512 0.83 PPARD (0.52) FFAR1PPARDKDM4C
SCHEMBL13235105 0.83 PPARD (0.52) FFAR1PPARDKDM4C
SCHEMBL12214572 0.83 PPARD (0.52) FFAR1PPARDKDM4C
SCHEMBL5468751 0.82 ALDH1A1 (0.49) ALDH1A1HPGDTP53CYP11B1CYP11B2
SCHEMBL2358440 0.79 HSD17B1 (0.56) FFAR1PPARAPPARGPPARDTP53

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 FFAR1 51/4885PPARA 7/4885PPARG 26/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885PPARA 7/4885PPARG 26/4885

“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.