SCHEMBL2907783

SCHEMBL2907783

CC(=O)CC(C(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
POLB P06746 2/20 0.49
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
GABBR2 O75899 3/20 0.43
GABBR1 Q9UBS5 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL13025499 0.84 CYP2C9 (0.46) BRD4POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL28233461 0.82 BRD4 (0.55) BRD4POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL4444979 0.82 BRD4 (0.55) BRD4POLBCYP2C9CYP2C19L3MBTL1
SCHEMBL8217885 0.81 BRD4 (0.53) BRD4POLBCYP2C9CYP2C19KMT2A
SCHEMBL2915594 0.80 ALDH1A1 (0.46) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL2915242 0.80 ALDH1A1 (0.46) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL1977280 0.80 ALDH1A1 (0.46) POLBCYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL5321358 0.78 BRD4 (0.50) BRD4POLBCYP2C9CYP2C19KMT2A
SCHEMBL27573299 0.78 AOC3 (0.50) BRD4POLBCYP2C9CYP2C19KMT2A
SCHEMBL27573301 0.78 AOC3 (0.50) BRD4POLBCYP2C9CYP2C19KMT2A

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 BRD4 4143/4885POLB 983/4885CYP2C9 631/4885

“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.