SCHEMBL821889

SCHEMBL821889

CCCC(=O)OC(OC(=O)CCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL1203167 0.85 CRHBP (0.50) L3MBTL1CES2CES1ALDH1A1KMT2A
SCHEMBL5615513 0.85 L3MBTL1 (0.41) L3MBTL1ALDH1A1KMT2AMEN1TSHR
SCHEMBL585143 0.84 HCAR2 (0.51) L3MBTL1CES2CES1ALDH1A1CYP3A4
SCHEMBL6242067 0.84 HCAR2 (0.51) L3MBTL1CES2CES1ALDH1A1CYP3A4
SCHEMBL5693685 0.84 HCAR2 (0.51) L3MBTL1CES2CES1ALDH1A1CYP3A4
SCHEMBL5615720 0.83 L3MBTL1 (0.40) L3MBTL1CES2CES1ALDH1A1CYP3A4
SCHEMBL3505279 0.82 L3MBTL1 (0.43) L3MBTL1CES2CES1KMT2AKDM4E
Methane SCHEMBL28580094 0.82 HCAR2 (0.50) L3MBTL1CES2CES1ALDH1A1CYP3A4
SCHEMBL24991815 0.81 L3MBTL1 (0.42) L3MBTL1CES2CES1ALDH1A1KMT2A
SCHEMBL9637379 0.80 L3MBTL1 (0.44) L3MBTL1CES2CES1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020704-A2 CRYSTALLINE POLYMORPHS OF CLEVIDIPINE BUTYRATE Laboratorios Lesvi, S.L. (ES) 2016-05-18 EP disclosed
EP-2386544-B1 Preparation of dihydropyridines LESVI LABORATORIOS SL (ES) 2016-02-10 EP disclosed
US-8455655-B2 Preparation of dihydropyridines LABORATORIOS LESVI, S.L. (ES) 2013-06-04 US disclosed
US-8268772-B2 Depot preparations SYMRISE AG (DE) 2012-09-18 US disclosed
EP-2386544-A1 Preparation of dihydropyridines Laboratorios Lesvi, S.L. (ES) 2011-11-16 EP disclosed
US-20110275825-A1 PREPARATION OF DIHYDROPYRIDINES LABORATORIOS LESVI, S.A. (ES) 2011-11-10 US disclosed
US-20110253123-A1 FLOW DIRECTING DEVICE FOR A COOKING APPLIANCE RATIONAL AG (DE) 2011-10-20 US disclosed
US-20060111269-A1 Depot preparations SYMRISE AG (DE) 2006-05-25 US disclosed
US-20030114352-A1 Depot preparations SYMRISE GMBH & CO. KG (DE) 2003-06-19 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-20110275825-A1 PREPARATION OF DIHYDROPYRIDINES CACNA1C, CACNA1D, CACNB4 L3MBTL1 4339/4885CES2 916/4885CES1 796/4885
US-20030114352-A1 Depot preparations FABP4, LIPE, GPR119 L3MBTL1 4773/4885CES2 9/4885CES1 64/4885

“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.