SCHEMBL16397992

SCHEMBL16397992

CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.68
MAPT P10636 6/20 0.66
ALDH1A1 P00352 4/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
KDM4E B2RXH2 2/20 0.66
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.51
RAB9A P51151 2/20 0.50
ESR2 Q92731 1/20 0.50
NPC1 O15118 1/20 0.48
HGFAC Q04756 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48

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
SCHEMBL16399225 0.83 MAPT (0.72) ALOX5MAPTALDH1A1KMT2AMEN1
SCHEMBL10747787 0.83 MAPT (0.62) ALOX5MAPTALDH1A1KMT2AMEN1
SCHEMBL17703565 0.82 RAB9A (0.68) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL16398970 0.82 ALOX5 (0.92) ALOX5MAPTALDH1A1KMT2AMEN1
SCHEMBL14453813 0.82 MAPT (0.58) ALOX5MAPTALDH1A1KMT2AMEN1
4-Nitrophenyl Acetate SCHEMBL74985 0.81 GAA (0.66) MAPTALDH1A1KMT2APKMLMNA
SCHEMBL31614562 0.81 KMT2A (0.72) ALOX5MAPTALDH1A1KMT2AMEN1
SCHEMBL16398631 0.81 MEN1 (0.72) ALOX5MAPTALDH1A1KMT2AMEN1
SCHEMBL16398971 0.81 KMT2A (0.72) ALOX5MAPTALDH1A1KMT2AMEN1
4-Nitrophenyl Acetate SCHEMBL8769916 0.80 GAA (0.64) MAPTALDH1A1KMT2APKMLMNA

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-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-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 ALOX5 1247/4885MAPT 3521/4885ALDH1A1 143/4885

“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.