SCHEMBL4131378

SCHEMBL4131378

C1=C\Cc2ccccc2/C=C\C/1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL4131379 1.00 CA1 (0.44) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL8617 0.85
Indene SCHEMBL29350094 0.85
Indene SCHEMBL8336138 0.85 CA1 (0.55) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL1053919 0.84 CA1 (0.47) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL21494586 0.84 CA1 (0.47) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL23071394 0.83 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL1054910 0.83 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL2967405 0.83 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1
Indene SCHEMBL7153004 0.83 CA1 (0.53) CA1CA2CYP2D6CYP2C19PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 US disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
EP-1896391-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY Baylor University (US) 2008-03-12 EP disclosed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 US disclosed
WO-2006138427-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY BAYLOR UNIVERSITY (US) 2006-12-28 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 (2 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-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 CA1 3095/4885CA2 2363/4885CYP2D6 4771/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 CA1 3095/4885CA2 2363/4885CYP2D6 4771/4885

“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.