SCHEMBL4421760

SCHEMBL4421760

COc1cc(C(=O)c2c[nH]c(-c3ccccc3F)n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 18/20 0.58
TUBB P07437 18/20 0.58
TUBA3C P0DPH7 18/20 0.58
TUBA1B P68363 18/20 0.58
TUBA4A P68366 18/20 0.58
TUBB4B P68371 18/20 0.58
TUBB3 Q13509 18/20 0.58
TUBB2A Q13885 18/20 0.58
TUBB8 Q3ZCM7 18/20 0.58
TUBA3E Q6PEY2 18/20 0.58
TUBA1A Q71U36 18/20 0.58
TUBA1C Q9BQE3 18/20 0.58
TUBB6 Q9BUF5 18/20 0.58
TUBB2B Q9BVA1 18/20 0.58
TUBB1 Q9H4B7 18/20 0.58

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
SCHEMBL771734 0.86 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29986685 0.86 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL725347 0.83 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Sabizabulin SCHEMBL29359405 0.82 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Sabizabulin SCHEMBL724794 0.82 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4427835 0.82 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL724236 0.81 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1683715 0.81 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Sabizabulin SCHEMBL26612334 0.81 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4423393 0.81 TUBB4A (0.62) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 US 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY TUBB4A 2060/4885TUBB 2030/4885TUBA3C 2859/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 TUBB4A 237/4885TUBB 461/4885TUBA3C 625/4885

“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.