SCHEMBL4332607

SCHEMBL4332607

COc1ccc2c(c1)OC=C(C#N)C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.56
NFKB2 Q00653 8/20 0.56
RELA Q04206 8/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
MYB P10242 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL4465255 0.92 TUBB4A (0.51) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL4332032 0.79 TUBB4A (0.68) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL31238159 0.78 SMN1; SMN2 (0.81) SMN1; SMN2NPC1KDM4EALDH1A1TSHR
SCHEMBL4332183 0.78 SMN1; SMN2 (0.81) SMN1; SMN2NPC1KDM4EALDH1A1TSHR
SCHEMBL4335403 0.76 TUBB4A (0.47) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL4332681 0.72 MYB (0.43) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL7975443 0.71 NFKB1 (1.00) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL4320572 0.71 TUBB4A (0.77) SMN1; SMN2NPC1KDM4EALDH1A1TSHR
SCHEMBL4320423 0.69 TUBB4A (0.49) SMN1; SMN2NPC1MYBMITFHTT
SCHEMBL4324613 0.68 NFKB1 (0.49) NFKB1NFKB2RELASMN1; SMN2NPC1

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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-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-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 NFKB1 2247/4885NFKB2 1179/4885RELA 887/4885

“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.