SCHEMBL3665382

SCHEMBL3665382

CC(C)CC(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.47
GABBR2 O75899 4/20 0.45
GABBR1 Q9UBS5 4/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD3 P35462 1/20 0.45
BLM P54132 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
PDCD1 Q15116 1/20 0.42

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
SCHEMBL3928758 0.85 GABBR2 (0.61) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL25152267 0.85 GABBR2 (0.61) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL25152663 0.85 GABBR2 (0.61) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL11229344 0.85 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL12197892 0.84 FFAR1 (0.48) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL11576451 0.83 CA2 (0.44) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL22954321 0.82 ESR1 (0.54) FOLH1LMNACYP2C9CYP3A4ADORA3
SCHEMBL13564512 0.81 FFAR1 (0.57) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL6379988 0.81 FFAR1 (0.57) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL13715571 0.81 FOLH1 (0.43) FOLH1ESR1ESR2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139843-B1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC (US) 2013-12-25 EP disclosed
EP-2139843-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS Amgen, Inc (US) 2010-01-06 EP disclosed
US-7572934-B2 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-08-11 US disclosed
US-20090111859-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-04-30 US disclosed
WO-2008130514-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC. (US) 2008-10-30 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 (1 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-20090111859-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 FOLH1 1215/4885GABBR2 269/4885GABBR1 360/4885

“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.