SCHEMBL6522964

SCHEMBL6522964

O=C(NCc1ccccc1)[C@@H](O)[C@H](O)C(=O)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MMP8 P22894 2/20 0.59
GAA P10253 1/20 0.55
MME P08473 1/20 0.54
MEN1 O00255 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL714386 1.00 KMT2A (0.59) KMT2AMMP8GAAMMEMEN1
SCHEMBL714385 1.00 KMT2A (0.59) KMT2AMMP8GAAMMEMEN1
Benzene SCHEMBL28051129 0.94 KMT2A (0.54) KMT2AMMP8GAAMMEMEN1
SCHEMBL28399863 0.90 KMT2A (0.58) KMT2AMMP8GAAMMEMEN1
SCHEMBL3778146 0.89 NR1H4 (0.58) KMT2AMMP8MEN1CYP2D6ALDH1A1
SCHEMBL3778154 0.89 NR1H4 (0.58) KMT2AMMP8MEN1CYP2D6ALDH1A1
SCHEMBL4405619 0.89 KMT2A (0.61) KMT2AMMP8MMEMEN1TSHR
SCHEMBL25681471 0.89 KMT2A (0.61) KMT2AMMP8MMEMEN1TSHR
SCHEMBL14015726 0.87 KMT2A (0.54) KMT2AMMP8GAAMMEMEN1
SCHEMBL14015607 0.87 KMT2A (0.54) KMT2AMMP8GAAMMEMEN1

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-9162972-B2 Method for production of hydroxycarboxylic acid amide compounds and novel arylboronic acid compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-01-08 US disclosed
EP-2816026-A1 PRODUCTION METHOD FOR HYDROXY-CARBOXYLIC ACID AMIDE COMPOUND, AND NOVEL ARYLBORONIC ACID COMPOUND National University Corporation Nagoya University (JP) 2014-12-24 EP disclosed
US-7169544-B2 Thermally developable materials containing thermal solvents EASTMAN KODAK COMPANY (US) 2007-01-30 US disclosed
US-7169544-B2 Thermally developable materials containing thermal solvents EASTMAN KODAK COMPANY (US) 2007-01-30 US disclosed
JP-2005008555-A ACETAL ADDUCT OF MUSCONE, METHOD FOR PREPARING THE SAME AND OPTICAL RESOLUTION METHOD OF (±)-MUSCONE KAWAGUCHI YAKUHIN KK 2005-01-13 JP 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-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND HCAR2, HCAR1, NCOR2 KMT2A 1519/4885MMP8 4344/4885GAA 4409/4885

“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.