SCHEMBL2917530

SCHEMBL2917530

C/C=C/C(C)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.42
ALOX15 P16050 1/20 0.41
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
MGAM O43451 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
SCHEMBL2914630 1.00 PKM (0.42) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL29511426 0.83 CYP4F2 (0.44) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL2918118 0.81 PKM (0.41) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL2918114 0.81 PKM (0.41) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL2915795 0.80 PKM (0.43) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL28625143 0.78 PKM (0.39) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL9040519 0.77 PKM (0.48) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL7375510 0.77 ALDH1A1 (0.37) PKMALOX15CYP4F2CYP4A11ALDH1A1
SCHEMBL3576477 0.77
SCHEMBL13112959 0.75 HCAR2 (0.41) PKMALOX15CYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
EP-2225382-B1 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2016-11-09 EP disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
EP-2565273-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
EP-2565274-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 US disclosed
EP-2225382-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-09-08 EP disclosed
WO-2009068308-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2009-06-04 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 (3 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 PKM 2303/4885ALOX15 338/4885CYP4F2 190/4885
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS PKM 617/4885ALOX15 1179/4885CYP4F2 2388/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 PKM 2303/4885ALOX15 338/4885CYP4F2 190/4885

“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.