SCHEMBL3096926

SCHEMBL3096926

O=C(O)Cc1ccc(NC(=O)COCCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
KLK7 P49862 3/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL27967069 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDKLK7LMNA
SCHEMBL85867 0.82 KLK7 (0.55) POLBALDH1A1HPGDKLK7LMNA
SCHEMBL28029676 0.80 MEN1 (0.48) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL9250647 0.79 ALDH1A1 (0.61) NR1H4KDM4EPOLBKMT2AMEN1
SCHEMBL5726377 0.79 KMT2A (0.50) NR1H4KDM4EPOLBKMT2AMEN1
SCHEMBL2941168 0.78 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL9322346 0.78 ALDH1A1 (0.59) NR1H4KDM4EPOLBKMT2AMEN1
SCHEMBL2945883 0.77 KMT2A (0.53) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2946374 0.77 MEN1 (0.64) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL2941803 0.75 MAPT (0.56) POLBKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX NR1H4 3304/4885KDM4E 1013/4885POLB 2957/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB NR1H4 1718/4885KDM4E 1954/4885POLB 3094/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX NR1H4 3304/4885KDM4E 1013/4885POLB 2957/4885

“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.