SCHEMBL294243

SCHEMBL294243

C=C(C(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MGLL Q99685 2/20 0.47

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
SCHEMBL81995 0.83 GAA (0.58) GAABCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL7063519 0.82 GAA (0.65) GAABCL9CTNNB1ALDH1A1MAPT
SCHEMBL4941164 0.81 ELANE (0.61) GAABCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL29003163 0.80 GAA (0.54) GAABCL9CTNNB1ALDH1A1MAPT
SCHEMBL23861753 0.80 ELANE (0.54) GAAALDH1A1MAPTKMT2AMAPK1
SCHEMBL3989423 0.80 GAA (0.62) GAABCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL10412815 0.79 GAA (0.54) GAABCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL27487269 0.79 POLB (0.50) ALDH1A1KMT2APKMMAPK1CA1
SCHEMBL21853704 0.79 GAA (0.57) GAABCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL27301103 0.79 GAA (0.57) GAABCL9CTNNB1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801410-A Method for synthesizing phenyl acrylate derivative by visible light catalysis of double-catalyst system 南京工业大学 2016-07-27 CN disclosed
EP-1859862-B1 SYNTHESIS REACTION CATALYST AND METHOD FOR SYNTHESIZING COMPOUND BY USING SAME DAIHATSU MOTOR CO LTD (JP) 2012-03-14 EP disclosed
US-8008526-B2 Synthesis reaction catalyst and method of synthesizing compound using the same NITTO DENKO CORPORATION (JP) 2011-08-30 US disclosed
EP-1860085-B1 METHOD OF SYNTHESIZING COMPOUND DAIHATSU MOTOR CO LTD (JP) 2011-07-20 EP disclosed
US-7592473-B2 Method of synthesizing compound DAIHATSU MOTOR CO., LTD. (JP) 2009-09-22 US disclosed
US-20090023943-A1 Synthesis Reaction Catalyst and Method of Synthesizing Compound Using the Same DAIHATSU MOTOR CO., LTD (JP) 2009-01-22 US disclosed
US-20080177112-A1 Method of Synthesizing Compound DAIHATSU MOTOR CO., LTD. (JP) 2008-07-24 US disclosed
EP-1859862-A1 SYNTHESIS REACTION CATALYST AND METHOD FOR SYNTHESIZING COMPOUND BY USING SAME DAIHATSU MOTOR COMPANY, LTD. (JP) 2007-11-28 EP disclosed
EP-1860085-A1 METHOD OF SYNTHESIZING COMPOUND Daihatsu Motor Co., Ltd. (JP) 2007-11-28 EP 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 (2 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-20080177112-A1 Method of Synthesizing Compound ADH1C, ADH1A, TPO GAA 2519/4885BCL9 1083/4885CTNNB1 4624/4885
US-20090023943-A1 Synthesis Reaction Catalyst and Method of Synthesizing Compound Using the Same FTO, TET2, EZH2 GAA 1186/4885BCL9 1704/4885CTNNB1 4710/4885

“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.