SCHEMBL16398971

SCHEMBL16398971

O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
MAPT P10636 5/20 0.72
MEN1 O00255 4/20 0.72
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
ALOX5 P09917 1/20 0.71
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
HPGD P15428 1/20 0.66
LMNA P02545 2/20 0.62
GSK3B P49841 1/20 0.55
POLB P06746 1/20 0.55
CRHBP P24387 1/20 0.54
HTT P42858 1/20 0.54
CRHR2 Q13324 1/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL16398970 0.87 ALOX5 (0.92) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL16398631 0.85 MEN1 (0.72) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL16399225 0.85 MAPT (0.72) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL31614562 0.85 KMT2A (0.72) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL6202919 0.82 MEN1 (0.61) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL8674798 0.81 KMT2A (0.65) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL1982760 0.81 GSK3B (0.66) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL16397992 0.81 ALOX5 (0.68) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL16398364 0.80 RAB9A (1.00) KMT2AMAPTKDM4EALDH1A1ALOX5
SCHEMBL15706788 0.80 RAB9A (0.76) KMT2AMAPTMEN1KDM4EALDH1A1

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-9834570-B2 One step process for regioselective synthesis of α-acyloxy carbonyls COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-12-05 US claimed
US-20160115182-A1 ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF ALPHA-ACYLOXY CARBONYLS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US claimed
WO-2014195972-A1 ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF α-ACYLOXY CARBONYLS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-12-11 WO claimed
US-9834570-B2 One step process for regioselective synthesis of α-acyloxy carbonyls COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-12-05 US disclosed
US-9834570-B2 One step process for regioselective synthesis of α-acyloxy carbonyls COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-12-05 US disclosed
US-20160115182-A1 ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF ALPHA-ACYLOXY CARBONYLS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
US-20160115182-A1 ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF ALPHA-ACYLOXY CARBONYLS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
WO-2014195972-A1 ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF α-ACYLOXY CARBONYLS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-12-11 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-20160115182-A1 ONE STEP PROCESS FOR REGIOSELECTIVE SYNTHESIS OF ALPHA-ACYLOXY CARBONYLS ACACB, ACACA, COASY KMT2A 1405/4885MAPT 3521/4885MEN1 1721/4885

“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.