SCHEMBL4337730

SCHEMBL4337730

N#CC1=COc2c(ccc3[nH]ccc23)C1c1cncc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
PRKCQ Q04759 3/20 0.30
PRKCD Q05655 3/20 0.30

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
SCHEMBL4324576 0.88 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4426681 0.80 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4328634 0.78 PRKCQ (0.31) PRKCQPRKCD
SCHEMBL4318992 0.75 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5959373 0.71 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4425546 0.68 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4424243 0.66 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4340647 0.66 PRKCQ (0.33) PRKCQPRKCD
SCHEMBL13970697 0.65 PRKCQ (0.31) PRKCQPRKCD
SCHEMBL4426946 0.63 ALDH1A1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 8 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-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 TUBB4A 1138/4885TUBB 2304/4885TUBA3C 1418/4885

“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.