SCHEMBL2912486

SCHEMBL2912486

CC(=O)CC(C(C)=O)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
BLM P54132 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP2C19 P33261 2/20 0.44
MIF P14174 1/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
ALOX5 P09917 1/20 0.41
AGTR1 P30556 1/20 0.41

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
SCHEMBL11400809 0.81 CYP2C19 (0.54) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL13987057 0.79 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL12897248 0.79 KMT2A (0.55) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL27908862 0.78 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL11201799 0.78 KMT2A (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL29110955 0.78 MIF (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7901610 0.74 KMT2A (0.53) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL11149248 0.74 ALDH1A1 (0.47) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL10938332 0.74 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL11749315 0.73 MIF (0.53) KMT2AALDH1A1MEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309742-B2 Use of the PigD protein for catalyzing 1,4-additions of 2-oxoalkanoates to α, β-unsaturated ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-11-13 US disclosed
US-8309742-B2 Use of the PigD protein for catalyzing 1,4-additions of 2-oxoalkanoates to α, β-unsaturated ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2012-11-13 US disclosed
US-20100305337-A1 Use Of The PIGD Protein For Catalyzing 1,4-Additions Of 2-Oxoalkanoates To Alpha, Beta-Unsaturated Ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2010-12-02 US disclosed
US-20100305337-A1 Use Of The PIGD Protein For Catalyzing 1,4-Additions Of 2-Oxoalkanoates To Alpha, Beta-Unsaturated Ketones ALBERT-LUDWIGS-UNIVERSITAT FREIBURG (DE) 2010-12-02 US disclosed
EP-2142657-B1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES UNIV ALBERT LUDWIGS FREIBURG (DE) 2010-09-01 EP disclosed
EP-2142657-B1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES UNIV ALBERT LUDWIGS FREIBURG (DE) 2010-09-01 EP disclosed
EP-2142657-A1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES Albert-Ludwigs-Universität Freiburg (DE) 2010-01-13 EP disclosed
WO-2008138450-A1 USE OF THE PIGD PROTEIN FOR CATALYZING 1,4-ADDITIONS OF 2-OXOALKANOATES TO ALPHA, BETA-UNSATURATED KETONES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2008-11-20 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 (1 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-20100305337-A1 Use Of The PIGD Protein For Catalyzing 1,4-Additions Of 2-Oxoalkanoates To Alpha, Beta-Unsaturated Ketones PGD, PC, PDK4 KMT2A 3922/4885ALDH1A1 406/4885MEN1 4691/4885

“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.