SCHEMBL4132763

SCHEMBL4132763

COc1cc2c(c(OC)c1OC)CCCCC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD4 O60885 1/20 0.46
TUBB4A P04350 8/20 0.44
TUBB P07437 8/20 0.44
TUBA3C P0DPH7 8/20 0.44
TUBA1B P68363 8/20 0.44
TUBA4A P68366 8/20 0.44
TUBB4B P68371 8/20 0.44
TUBB3 Q13509 8/20 0.44
TUBB2A Q13885 8/20 0.44
TUBB8 Q3ZCM7 8/20 0.44
TUBA3E Q6PEY2 8/20 0.44
TUBA1A Q71U36 8/20 0.44
TUBA1C Q9BQE3 8/20 0.44
TUBB6 Q9BUF5 8/20 0.44

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
SCHEMBL4123012 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL4121479 0.97 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL6113045 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL6113256 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL7172176 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL6113089 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL6112770 0.79 ALDH1A1 (0.81) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL11708730 0.79 BRD4 (0.46) KDM4EALDH1A1HPGDMAPTBRD4
SCHEMBL1274675 0.79 ALDH1A1 (0.81) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL6112675 0.79 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTMEN1

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
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-20140291660-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element and Light Emitting Device, Display Device, and Illumination Device, Each Employing Organic Electroluminescent Element UDC IRELAND LIMITED (IE) 2014-10-02 US disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 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 (3 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 KDM4E 232/4885ALDH1A1 1302/4885HPGD 599/4885
US-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 KDM4E 4221/4885ALDH1A1 4033/4885HPGD 3200/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 KDM4E 4221/4885ALDH1A1 4033/4885HPGD 3200/4885

“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.