SCHEMBL5618331

SCHEMBL5618331

CCOC(=O)C(C#N)=Cc1cc(OC)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
PKM P14618 1/20 0.66
HTT P42858 1/20 0.66
PTP4A1 Q93096 1/20 0.65
MAPT P10636 7/20 0.63
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
PDCD1 Q15116 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
KDM4E B2RXH2 5/20 0.58
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
MIF P14174 1/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL5618329 1.00 ALDH1A1 (0.66) ALDH1A1PKMHTTPTP4A1MAPT
SCHEMBL5618577 1.00 ALDH1A1 (0.66) ALDH1A1PKMHTTPTP4A1MAPT
SCHEMBL8361999 0.93 ALDH1A1 (0.62) ALDH1A1PKMHTTPTP4A1MAPT
SCHEMBL2179550 0.87 MAPT (0.71) ALDH1A1PKMHTTPTP4A1MAPT
SCHEMBL2179547 0.87 MAPT (0.71) ALDH1A1PKMHTTPTP4A1MAPT
SCHEMBL5618042 0.87 MAPT (0.71) ALDH1A1PKMHTTPTP4A1MAPT
SCHEMBL3602307 0.86 ALDH1A1 (0.70) ALDH1A1PKMHTTMAPTKMT2A
SCHEMBL19988422 0.86 ALDH1A1 (0.70) ALDH1A1PKMHTTMAPTKMT2A
SCHEMBL3602305 0.86 ALDH1A1 (0.70) ALDH1A1PKMHTTMAPTKMT2A
SCHEMBL23530140 0.83 ALDH1A1 (0.75) ALDH1A1PKMHTTPTP4A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7015328-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-03-21 US disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP disclosed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US disclosed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 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-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 ALDH1A1 1275/4885PKM 3283/4885HTT 4701/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 ALDH1A1 1656/4885PKM 2984/4885HTT 4681/4885

“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.