SCHEMBL3703386

SCHEMBL3703386

CCCC(C)C(C(=O)OC(C)(C)C)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
MAOB P27338 2/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
EDNRA P25101 1/20 0.31
ROCK2 O75116 2/20 0.31
PGR P06401 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL517218 0.93 CHRM2 (0.34) KMT2AMAOBALDH1A1GAATHRB
SCHEMBL3691213 0.90 MAOB (0.35) KMT2AMAOBALDH1A1GAATHRB
SCHEMBL3691767 0.90 KMT2A (0.32) KMT2AMAOBALDH1A1GAATHRB
SCHEMBL1178303 0.89 KMT2A (0.34) KMT2AMAOBALDH1A1GAATHRB
SCHEMBL3709062 0.89 KMT2A (0.36) KMT2AMAOBPKMALDH1A1GAA
SCHEMBL3700165 0.88 KMT2A (0.39) KMT2AMAOBPKMALDH1A1GAA
SCHEMBL16474146 0.86 CHRM2 (0.33) KMT2AMAOBPKMALDH1A1GAA
SCHEMBL7605597 0.86 KMT2A (0.35) KMT2AMAOBPKMALDH1A1GAA
SCHEMBL517234 0.82 AAK1 (0.39) KMT2AMAOBALDH1A1GAATHRB
SCHEMBL1079353 0.81 PTGES (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 KMT2A 2766/4885KLK7 4770/4885KLK5 4510/4885

“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.