SCHEMBL4331808

SCHEMBL4331808

COc1ccc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 4/20 0.65
TSHR P16473 2/20 0.65
GFER P55789 1/20 0.65
TUBB4A P04350 2/20 0.64
TUBB P07437 2/20 0.64
TUBA3C P0DPH7 2/20 0.64
TUBA1B P68363 2/20 0.64
TUBA4A P68366 2/20 0.64
TUBB4B P68371 2/20 0.64
TUBB3 Q13509 2/20 0.64
TUBB2A Q13885 2/20 0.64
TUBB8 Q3ZCM7 2/20 0.64
TUBA3E Q6PEY2 2/20 0.64
TUBA1A Q71U36 2/20 0.64
TUBA1C Q9BQE3 2/20 0.64
TUBB6 Q9BUF5 2/20 0.64
TUBB2B Q9BVA1 2/20 0.64
TUBB1 Q9H4B7 2/20 0.64
MEN1 O00255 8/20 0.62

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
SCHEMBL4319521 0.89 TUBB4A (0.67) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL30628024 0.88 MAPT (0.66) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL28648589 0.88 MAPT (0.66) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL4328441 0.87 MEN1 (0.61) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL28664520 0.87 TUBB4A (0.65) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL30628027 0.87 TUBB4A (0.65) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL6420082 0.87 TUBB4A (0.67) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL4337100 0.85 TUBB4A (0.71) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL4326115 0.85 MEN1 (0.73) ALDH1A1KDM4ETSHRGFERTUBB4A
SCHEMBL30628020 0.85 MEN1 (0.73) ALDH1A1KDM4ETSHRGFERTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 2306/4885KDM4E 789/4885TSHR 2030/4885

“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.