SCHEMBL7499142

SCHEMBL7499142

COc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 1.00
TUBB P07437 5/20 1.00
TUBA3C P0DPH7 5/20 1.00
TUBA1B P68363 5/20 1.00
TUBA4A P68366 5/20 1.00
TUBB4B P68371 5/20 1.00
TUBB3 Q13509 5/20 1.00
TUBB2A Q13885 5/20 1.00
TUBB8 Q3ZCM7 5/20 1.00
TUBA3E Q6PEY2 5/20 1.00
TUBA1A Q71U36 5/20 1.00
TUBA1C Q9BQE3 5/20 1.00
TUBB6 Q9BUF5 5/20 1.00
TUBB2B Q9BVA1 5/20 1.00
TUBB1 Q9H4B7 5/20 1.00
ESR1 P03372 10/20 0.50
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL21780857 0.84 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8158106 0.84 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16346487 0.83 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28453223 0.83 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15953834 0.83 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18327915 0.83 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7788688 0.82 TUBB4A (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8380699 0.80 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18473277 0.79 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1899993 0.79 TUBB1 (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-6350777-B2 METHOXY/ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES; ANTITUMOR AGENTS; CYTOTOXICITY BAYLOR UNIVERSITY 2002-02-26 US disclosed
EP-0984954-A4 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION UNIV BAYLOR (US) 2002-01-16 EP disclosed
US-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization BYLOR UNIVERSITY AND ARIZONA DESEASE CONTROL RESEARCH COMMISSION 2001-10-25 US disclosed
US-6162930-A Anti-mitotic agents which inhibit tubulin polymerization BAYLOR UNIVERSITY (US) 2000-12-19 US disclosed
EP-0984954-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 2000-03-15 EP disclosed
WO-1998039323-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 1998-09-11 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-20010034454-A1 Description anti-mitotic agents which inhibit tubulin polymerization TUBB, TUBB1, TUBB3 TUBB4A 4/4885TUBB 1/4885TUBA3C 16/4885

“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.