SCHEMBL1771602

SCHEMBL1771602

COc1ccc2c(c1)CCCC=C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCB1 P08183 1/20 0.46
MPO P05164 1/20 0.45

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
SCHEMBL7633012 0.92 MPO (0.54) ALDH1A1MAPTMAPK1SMN1; SMN2ABCB1
SCHEMBL6112977 0.86 MIF (0.48)
SCHEMBL6112988 0.85 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1SMN1; SMN2ABCB1
SCHEMBL6113102 0.78 KDM4E (0.47) ALDH1A1
SCHEMBL1771400 0.78 TUBB4A (0.43)
SCHEMBL22560166 0.76 BRD4 (0.38)
SCHEMBL30753441 0.76 BRD4 (0.38)
SCHEMBL4802603 0.76 MPO (0.60) ALDH1A1ABCB1MPO
SCHEMBL18740701 0.75 PSMB5 (0.34)
SCHEMBL21715385 0.75 BRD4 (0.35) ALDH1A1MAPT

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 26 patents — showing the first 20. 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 claimed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US claimed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 US claimed
EP-1896391-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY Baylor University (US) 2008-03-12 EP claimed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 US claimed
WO-2006138427-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY BAYLOR UNIVERSITY (US) 2006-12-28 WO claimed
WO-2017066668-A1 DRUG-LINKER CONJUGATE PHARMACEUTICAL COMPOSITIONS BAYLOR UNIVERSITY (US) 2017-04-20 WO disclosed
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 US disclosed
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 WO disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
WO-2008109076-A1 METHODS FOR ENHANCING THE EFFICACY OF VASCULAR DISRUPTING AGENTS OXIGENE, INC. (US) 2008-09-12 WO disclosed
US-20080214509-A1 Methods for enhancing the efficacy of vascular disrupting agents OXIGENE, INC. 2008-09-04 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 (4 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-20080214509-A1 Methods for enhancing the efficacy of vascular disrupting agents CXCL12, CXCR4, CXCR2 ALDH1A1 2113/4885MAPT 4580/4885MAPK1 2697/4885
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 ALDH1A1 1302/4885MAPT 3719/4885MAPK1 3811/4885
US-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 ALDH1A1 4033/4885MAPT 77/4885MAPK1 3442/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 ALDH1A1 4033/4885MAPT 77/4885MAPK1 3442/4885

“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.