SCHEMBL12634278

SCHEMBL12634278

C=C(c1ccc(OC)c(F)c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 10/20 0.69
TUBB4A P04350 6/20 0.69
TUBB P07437 6/20 0.69
TUBA3C P0DPH7 6/20 0.69
TUBA1B P68363 6/20 0.69
TUBA4A P68366 6/20 0.69
TUBB4B P68371 6/20 0.69
TUBB3 Q13509 6/20 0.69
TUBB2A Q13885 6/20 0.69
TUBB8 Q3ZCM7 6/20 0.69
TUBA3E Q6PEY2 6/20 0.69
TUBA1A Q71U36 6/20 0.69
TUBA1C Q9BQE3 6/20 0.69
TUBB6 Q9BUF5 6/20 0.69
TUBB2B Q9BVA1 6/20 0.69
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL7100310 0.86 TUBB4A (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12574121 0.84 PDE4A (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12677570 0.82 TUBB1 (0.71) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12678037 0.82 TUBB4A (0.71) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12635489 0.82 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12677583 0.81 TUBB1 (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12634281 0.81 TUBB4A (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12677571 0.81 TUBB1 (0.69) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12677588 0.79 TUBB4A (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12635494 0.79 TUBB4A (0.68) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2142493-B1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION CENTRE NAT RECH SCIENT (FR) 2019-03-27 EP disclosed
US-8273768-B2 Iso CA-4 and analogues thereof as potent cytotoxic agents inhibiting tubuline polymerization CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-09-25 US disclosed
US-8273768-B2 Iso CA-4 and analogues thereof as potent cytotoxic agents inhibiting tubuline polymerization CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-09-25 US disclosed
US-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENRIFIQUE (CNRS) 2011-06-30 US disclosed
US-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2010-05-27 US disclosed
US-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2010-05-27 US disclosed
WO-2009147217-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-12-10 WO disclosed
WO-2008122620-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERISATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-16 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-20100129471-A1 ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION TUBB4A, TUBA4A, TUBB4B TUBB1 6/4885TUBB4A 1/4885TUBB 7/4885
US-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION TUBB4A, TUBA4A, TUBGCP4 TUBB1 8/4885TUBB4A 1/4885TUBB 10/4885

“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.