SCHEMBL3070930

SCHEMBL3070930

CC(=C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARA Q07869 2/20 0.50
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
SLC6A9 P48067 5/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MAOB P27338 2/20 0.42
PTGS1 P23219 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MTOR P42345 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 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
SCHEMBL11988779 0.76 PPARG (0.52) PPARGPPARASLC6A9MAOBSLC6A4
SCHEMBL3062675 0.76 PPARG (0.52) PPARGPPARASLC6A9MAOBSLC6A4
SCHEMBL3062673 0.76 PPARG (0.52) PPARGPPARASLC6A9MAOBSLC6A4
SCHEMBL28392269 0.75 NR4A1 (0.60) PPARGPPARANR4A1NR4A2NR4A3
SCHEMBL3062712 0.74 TSHR (0.42) NPC1RAB9AMEN1TP53CYP3A4
SCHEMBL3070932 0.73 PPARG (0.47) PPARGPPARASLC6A9NPC1RAB9A
SCHEMBL3073242 0.71 LMNA (0.46) PPARGPPARANPC1MEN1CYP3A4
SCHEMBL25212758 0.70 CYP1A2 (0.59) PPARGPPARASLC6A9CYP2C19CYP1A2
SCHEMBL21057241 0.70 CYP1A2 (0.59) PPARGPPARASLC6A9CYP2C19CYP1A2
SCHEMBL11597291 0.70 CYP1A2 (0.59) PPARGPPARASLC6A9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247448-B2 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2012-08-21 US disclosed
US-7820847-B2 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2010-10-26 US disclosed
US-20100261789-A1 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes ZEILLER JEAN-JACQUES 2010-10-14 US disclosed
US-20060178434-A1 Butenoic acid derivatives processes for the preparation thereof pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2006-08-10 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-20100261789-A1 Butenoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and use for the treatment of dyslipidaemia, atherosclerosis and diabetes ALOX15, LIPA, APOB PPARG 130/4885PPARA 75/4885NR4A1 866/4885
US-20060178434-A1 Butenoic acid derivatives processes for the preparation thereof pharmaceutical compositions comprising them and use for the treatment of dyslipidaemia atherosclerosis and diabetes APOB, ALOX15, GPR119 PPARG 136/4885PPARA 87/4885NR4A1 929/4885

“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.