SCHEMBL4054939

SCHEMBL4054939

COc1cc(O)c(CC(C)C)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX5 P09917 4/20 0.43
TUBB1 Q9H4B7 5/20 0.42
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42
TUBB8 Q3ZCM7 4/20 0.42
TUBA3E Q6PEY2 4/20 0.42
TUBA1A Q71U36 4/20 0.42
TUBA1C Q9BQE3 4/20 0.42
TUBB6 Q9BUF5 4/20 0.42
TUBB2B Q9BVA1 4/20 0.42
ALOX15 P16050 1/20 0.41
ALOX12 P18054 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
SCHEMBL13402248 0.79 PTGS2 (0.37) CYP3A4MAPTALOX5
SCHEMBL5587062 0.74 GABRA1 (0.37) CYP3A4MAPTALOX5
SCHEMBL3860745 0.74 CYP3A4 (0.42) CYP3A4MAPTALOX5TUBB1TUBB4A
SCHEMBL9768502 0.72 CYP3A4 (0.58) CYP3A4MAPTALOX5TUBB1TUBB4A
SCHEMBL18029847 0.71 ALOX5 (0.75) ALOX5
SCHEMBL5572443 0.71 PTGS2 (0.59) CYP3A4MAPTTUBB1TUBB4ATUBB
SCHEMBL5587869 0.70 MAPT (0.56) CYP3A4MAPTALOX5TUBB1TUBB4A
SCHEMBL21715984 0.69 CYP3A4 (0.54) CYP3A4MAPTALOX5TUBB1TUBB4A
SCHEMBL18029894 0.68 ALOX5 (0.38) CYP3A4MAPTALOX5TUBB1TUBB4A
Pregomisin SCHEMBL29045386 0.68 ALOX15 (0.62) CYP3A4MAPTALOX5TUBB1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856083-A4 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF UNIV MICHIGAN (US) 2009-05-27 EP disclosed
CN-101171241-A Chromen-4-one inhibitors of anti-apoptotic BCL-2 family members and the uses thereof UNIV MICHIGAN (US) 2008-04-30 CN disclosed
EP-1856083-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-21 EP disclosed
US-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-11-02 US disclosed
WO-2006099193-A2 CHROMEN-4-ONE INHIBITORS OF ANTI-APOPTOTIC BCL-2 FAMILY MEMBERS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-09-21 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-20060247305-A1 Chromen-4-one inhibitors of anti-apoptotic Bcl-2 family members and the uses thereof BCL2, BAD, BAX CYP3A4 2385/4885MAPT 3970/4885ALOX5 3095/4885

“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.