SCHEMBL5026201

SCHEMBL5026201

COc1ccc(C#Cc2ccc(OC)c(OC(C)C)c2)c(SCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL2129699 0.77 CYP2E1 (0.45) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5091334 0.76 LMNA (0.40) ACACBLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL5087499 0.75 LMNA (0.44) ACACBCYP2C9CYP2C19LMNACYP3A4
SCHEMBL17782927 0.73 MAOB (0.58) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL9911856 0.71 SMN1; SMN2 (0.41) ACACBCYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6426849 0.70 LMNA (0.36) ACACBLMNACYP3A4ALDH1A1MAPT
SCHEMBL6425078 0.69 MEN1 (0.35) ACACBALDH1A1KMT2APTGESMEN1
SCHEMBL13791695 0.68 CA12 (0.68) CYP2D6CYP3A4ALDH1A1KMT2AMAPT
SCHEMBL5088178 0.68 LMNA (0.41) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2128808 0.68 LMNA (0.37) MAOBLMNAALDH1A1KMT2AL3MBTL1

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
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP disclosed
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 ACACB 382/4885CYP2E1 4515/4885CYP2C8 3999/4885

“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.