SCHEMBL4325323

SCHEMBL4325323

COc1cc(/C=C(/C#N)C=O)cc(Br)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.51
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
TNFRSF1A P19438 2/20 0.48
TUBB1 Q9H4B7 4/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
NQO1 P15559 1/20 0.45

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
SCHEMBL13950363 1.00 EGFR (0.51) EGFRKDM4EPKMTNFRSF1ATUBB1
SCHEMBL4325325 1.00 EGFR (0.51) EGFRKDM4EPKMTNFRSF1ATUBB1
SCHEMBL11549417 0.90 NQO1 (0.54) EGFRKDM4ETUBB1TUBB4ATUBB
SCHEMBL11549421 0.90 NQO1 (0.54) EGFRKDM4ETUBB1TUBB4ATUBB
SCHEMBL4330242 0.82 EGFR (0.73) EGFRKDM4EPKMTNFRSF1ATUBB1
SCHEMBL9124372 0.81 EGFR (0.58) EGFRKDM4EMAPTHPGDPTP4A3
SCHEMBL9124369 0.81 EGFR (0.58) EGFRKDM4EMAPTHPGDPTP4A3
SCHEMBL28071871 0.80 EGFR (0.54) EGFRKDM4EPKMTNFRSF1ATUBB1
SCHEMBL28071873 0.80 EGFR (0.54) EGFRKDM4EPKMTNFRSF1ATUBB1
SCHEMBL22259980 0.78 KDM4E (0.75) EGFRKDM4EPKMMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476741-B2 Substituted 4H-chromens, 2H-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-01-13 US disclosed
US-20050176750-A1 Substituted 4h-chromens, 2h-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-08-11 US disclosed
EP-1513515-A2 SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-16 EP disclosed
WO-2003096982-A2 SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 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-20050176750-A1 Substituted 4h-chromens, 2h-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP10 EGFR 2560/4885KDM4E 607/4885PKM 2400/4885

“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.