SCHEMBL4415787

SCHEMBL4415787

COc1cc(C(=O)c2coc(-c3ccc4cc[nH]c4c3)n2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
TUBB4A P04350 10/20 0.53
TUBB P07437 10/20 0.53
TUBA3C P0DPH7 10/20 0.53
TUBA1B P68363 10/20 0.53
TUBA4A P68366 10/20 0.53
TUBB4B P68371 10/20 0.53
TUBB3 Q13509 10/20 0.53
TUBB2A Q13885 10/20 0.53
TUBB8 Q3ZCM7 10/20 0.53
TUBA3E Q6PEY2 10/20 0.53
TUBA1A Q71U36 10/20 0.53
TUBA1C Q9BQE3 10/20 0.53
TUBB6 Q9BUF5 10/20 0.53
TUBB2B Q9BVA1 10/20 0.53
TUBB1 Q9H4B7 10/20 0.53
PDE4C Q08493 1/20 0.50
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4423924 0.92 EGFR (0.66) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1683745 0.83 KDM4E (0.51) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1683769 0.81 HDAC1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1683679 0.81 EGFR (0.57) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1683596 0.80 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1683666 0.80 NEK2 (0.47) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1683635 0.80 HDAC1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1683677 0.80 HDAC1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL722625 0.80 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4414241 0.80 TUBB4A (0.60) EGFRTUBB4ATUBBTUBA3CTUBA1B

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 EGFR 263/4885TUBB4A 2060/4885TUBB 2030/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EGFR 520/4885TUBB4A 237/4885TUBB 461/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EGFR 520/4885TUBB4A 237/4885TUBB 461/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885TUBB4A 237/4885TUBB 461/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885TUBB4A 237/4885TUBB 461/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885TUBB4A 237/4885TUBB 461/4885

“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.