SCHEMBL9675188

SCHEMBL9675188

CCC(=O)CC(=O)N(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
PPIB P23284 1/20 0.44
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 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
SCHEMBL1760632 0.86 KMT2A (0.58) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9887 0.84 KMT2A (0.56) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL6656466 0.84 KMT2A (0.53) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL11770773 0.84 ALDH1A1 (0.52) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL21480115 0.84 POLQ (0.49) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL10602914 0.83 ALDH1A1 (0.55) KMT2AALDH1A1NPSR1NPC1RAB9A
SCHEMBL307215 0.82 KMT2A (0.54) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL13041510 0.82 SMN1; SMN2 (0.41) KMT2AALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL13041490 0.82 ALDH1A1 (0.44) POLQKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL13041495 0.82 POLQ (0.48) POLQALDH1A1LMNA

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
CN-106397241-A Eco-friendly aftertreatment method of 4-methyl-3-oxo-N-phenylvaleramide 杨锋 2017-02-15 CN disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 US disclosed
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 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 (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 POLQ 3971/4885KMT2A 2108/4885ALDH1A1 3931/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 POLQ 3971/4885KMT2A 2108/4885ALDH1A1 3931/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET POLQ 2760/4885KMT2A 2353/4885ALDH1A1 3139/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS POLQ 4075/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 POLQ 3971/4885KMT2A 2108/4885ALDH1A1 3931/4885

“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.