SCHEMBL4127579

SCHEMBL4127579

COc1ccc2c(c1)CCCCC2(O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
KDM1A O60341 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MAPT P10636 2/20 0.45
RORC P51449 1/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39

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
SCHEMBL6113022 0.87 CYP3A4 (0.41) CYP3A4KDM1ACYP11B1CYP11B2MAPT
SCHEMBL6112941 0.85 MAPT (0.46) CYP3A4CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL6112924 0.82 MAPT (0.45) CYP3A4CYP11B1CYP11B2MAPT
SCHEMBL21715388 0.80 MAPT (0.43) CYP3A4CYP11B1CYP11B2MAPTTUBB4A
SCHEMBL22560181 0.80 MAPT (0.43) CYP3A4CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL6113160 0.79 CYP3A4 (0.43) CYP3A4CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL6112906 0.79 MAPT (0.42) CYP3A4CYP11B1CYP11B2MAPTTUBB4A
SCHEMBL6112897 0.79 MAPT (0.42) CYP3A4CYP11B1CYP11B2MAPT
SCHEMBL4139934 0.78 KDM1A (0.43) KDM1AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL5871366 0.77 CYP3A4 (0.71) CYP3A4KDM1ACYP11B1CYP11B2RORC

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 7 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-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 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
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 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 (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 CYP3A4 65/4885KDM1A 330/4885CYP11B1 147/4885
US-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 CYP3A4 4384/4885KDM1A 4822/4885CYP11B1 3445/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 CYP3A4 4384/4885KDM1A 4822/4885CYP11B1 3445/4885

“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.