SCHEMBL3053052

SCHEMBL3053052

CCCO[C@@H](C=Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
HDAC3 O15379 1/20 0.41
PPARA Q07869 5/20 0.41
PPARD Q03181 3/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.40
BCHE P06276 2/20 0.40
HDAC2 Q92769 1/20 0.40
PPARG P37231 1/20 0.40
ACHE P22303 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
SCHEMBL5693245 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ATDP1EGFR
SCHEMBL3072447 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ATDP1EGFR
SCHEMBL3072451 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ATDP1EGFR
SCHEMBL3053051 1.00 CYP1A2 (0.46) CYP1A2MEN1KMT2ATDP1EGFR
SCHEMBL3062714 0.87 CYP1A2 (0.49) CYP1A2MEN1KMT2ATDP1EGFR
SCHEMBL3073240 0.87 POLB (0.43) CYP1A2MEN1KMT2ATDP1EGFR
SCHEMBL5693171 0.83 LMNA (0.50) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL3070948 0.78 CYP1A2 (0.53) CYP1A2MEN1KMT2ATDP1HDAC3
SCHEMBL3070951 0.78 CYP1A2 (0.53) CYP1A2MEN1KMT2ATDP1HDAC3
SCHEMBL3070944 0.78 CYP1A2 (0.53) CYP1A2MEN1KMT2ATDP1HDAC3

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 369/4885MEN1 3372/4885KMT2A 4767/4885
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 414/4885MEN1 3365/4885KMT2A 4790/4885

“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.