SCHEMBL14965779

SCHEMBL14965779

COc1cc(/C=C/C(=O)O)c(C#N)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL14965780 1.00 PTGS2 (0.52) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL14970270 0.83 MAOB (0.47) ALDH1A1MAPTMEN1KMT2AJUN
SCHEMBL14966037 0.80 CYP3A4 (0.46) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL14966038 0.80 CYP3A4 (0.46) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL14966221 0.80 KDM4E (0.55) PTGS2ALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL14966220 0.80 KDM4E (0.55) PTGS2ALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL16414309 0.79 FDPS (0.43) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL6251817 0.79 PTGS2 (0.61) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16414310 0.79 FDPS (0.43) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL11366711 0.78 KDM4E (0.59) ALDH1A1MAPTKMT2AGAASMN1; SMN2

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-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 US disclosed
WO-2013072830-A9 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-20 WO disclosed
WO-2013072830-A1 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 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 (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-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 PTGS2 1864/4885ALDH1A1 406/4885MAPT 2273/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 PTGS2 1864/4885ALDH1A1 406/4885MAPT 2273/4885

“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.