SCHEMBL4326355

SCHEMBL4326355

COc1cc(C=C(C#N)C#N)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
CYP3A4 P08684 3/20 0.70
MAPT P10636 3/20 0.70
HPGD P15428 3/20 0.70
NFKB1 P19838 3/20 0.70
BLM P54132 3/20 0.70
PMP22 Q01453 3/20 0.70
CYP1A2 P05177 2/20 0.70
MEN1 O00255 2/20 0.70
RGS12 O14924 2/20 0.70
USP2 O75604 2/20 0.70
LMNA P02545 2/20 0.70
CYP2C9 P11712 2/20 0.70
ALOX15 P16050 2/20 0.70
GNAI1 P63096 2/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HIF1A Q16665 2/20 0.70

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
SCHEMBL4330242 0.89 EGFR (0.73) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL8745026 0.85 EGFR (0.87) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL3459584 0.82 EGFR (1.00) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL29457559 0.82 EGFR (1.00) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL17141349 0.81 TUBB4A (0.76) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL5191750 0.81 TUBB4A (0.76) NQO1NQO2TUBB4ATUBBTUBA3C
SCHEMBL8103856 0.80 EGFR (0.76) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL11549417 0.80 NQO1 (0.54) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL11549421 0.80 NQO1 (0.54) EGFRKDM4EALDH1A1CYP3A4MAPT
SCHEMBL11353649 0.80 EGFR (0.62) EGFRKDM4EALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103804268-B A kind of method efficiently synthesizing the functionalization enamine with high regioselectivity 陕西师范大学 2016-06-29 CN disclosed
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 US disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO disclosed
EP-0294099-B1 COLOUR PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-18 EP disclosed
US-4923792-A BENZYLIDENE LEUCO COMPOUNDS AS COLOR-GENERATING REDUCING AGENTS, TOPCOAT OF POLYVINYL ALCOHOL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-05-08 US disclosed
US-4883747-A LIGHT SENSITIVE SILVER HALIDE, ORGANIC ACID SILVER SALT, LEUCO DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-11-28 US disclosed
EP-0294099-A2 Colour photothermographic elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-12-07 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 (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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 EGFR 2269/4885KDM4E 789/4885ALDH1A1 2306/4885

“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.