SCHEMBL3073242

SCHEMBL3073242

CCCO[C@@H](C=C(C)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
LTB4R Q15722 5/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3062712 0.79 TSHR (0.42) LMNAALDH1A1KMT2AMEN1NPC1
SCHEMBL3072447 0.74 CYP1A2 (0.46) LMNAPPARGPPARAKMT2AMEN1
SCHEMBL3072451 0.74 CYP1A2 (0.46) LMNAPPARGPPARAKMT2AMEN1
SCHEMBL5693245 0.74 CYP1A2 (0.46) LMNAPPARGPPARAKMT2AMEN1
SCHEMBL3053051 0.74 CYP1A2 (0.46) LMNAPPARGPPARAKMT2AMEN1
SCHEMBL3053052 0.74 CYP1A2 (0.46) LMNAPPARGPPARAKMT2AMEN1
SCHEMBL11699833 0.74 LMNA (0.55) LMNAALDH1A1PPARGPPARAKMT2A
SCHEMBL7638637 0.74 LMNA (0.55) LMNAALDH1A1KMT2AMEN1NPC1
SCHEMBL8124029 0.72 LMNA (0.53) LMNAALDH1A1KMT2AMEN1NPC1
SCHEMBL11404629 0.72 DEGS1 (0.41) LMNAALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 LMNA 383/4885ALDH1A1 580/4885PPARG 130/4885
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 LMNA 394/4885ALDH1A1 647/4885PPARG 136/4885

“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.