SCHEMBL3070941

SCHEMBL3070941

COC(/C=C/c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
TDP1 Q9NUW8 2/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PLIN1 O60240 1/20 0.44

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
SCHEMBL3070948 1.00 CYP1A2 (0.53) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3070944 1.00 CYP1A2 (0.53) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3070951 1.00 CYP1A2 (0.53) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL5693176 0.86 CYP1A2 (0.46) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3062710 0.86 CYP1A2 (0.46) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3062714 0.81 CYP1A2 (0.49) CYP1A2TDP1GLALMNASMN1; SMN2
SCHEMBL3074419 0.80 CYP1A2 (0.51) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3074422 0.80 CYP1A2 (0.51) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3074423 0.80 CYP1A2 (0.51) CYP1A2TDP1GLAALDH1A1MAPT
SCHEMBL3074420 0.80 CYP1A2 (0.51) CYP1A2TDP1GLAALDH1A1MAPT

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 12 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 claimed
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 claimed
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
EP-1658260-A1 BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES Merk Patent Gmbh (DE) 2006-05-24 EP claimed
WO-2005014521-A1 BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES MERK PATENT GMBH (DE) 2005-02-17 WO 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
EP-1658260-A1 BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES Merk Patent Gmbh (DE) 2006-05-24 EP disclosed
WO-2005014521-A1 BUTENOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND USE FOR THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES MERK PATENT GMBH (DE) 2005-02-17 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 (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 CYP1A2 369/4885TDP1 2708/4885GLA 1025/4885
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 CYP1A2 414/4885TDP1 2586/4885GLA 1205/4885

“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.