SCHEMBL4139934

SCHEMBL4139934

COc1ccc2c(c1)CCCC(O)(c1cc(OC)c(OC)c(OC)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAPT P10636 3/20 0.41
ADRA2A P08913 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRNA7 P36544 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL4127579 0.78 CYP3A4 (0.47) KDM1AMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4126801 0.76 MAPT (0.37) MAPTSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL28893222 0.72 MAPT (0.54) MAPTALDH1A1MEN1KMT2A
SCHEMBL5678438 0.72 KDM1A (0.51) KDM1AADRA2ACHRNA7DRD2DRD1
SCHEMBL3649238 0.70 KDM1A (0.49) KDM1AADRA2AALDH1A1CHRNA7DRD2
SCHEMBL31650219 0.69 KDM1A (0.58) KDM1AADRA2ASMN1; SMN2DRD2DRD1
SCHEMBL5749365 0.69 KDM1A (0.58) KDM1AADRA2ASMN1; SMN2DRD2DRD1
SCHEMBL6112941 0.68 MAPT (0.46) MAPTALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL3657421 0.68 KDM1A (0.45) KDM1AADRA2ADRD2DRD1DRD4
SCHEMBL1506557 0.68 DRD1 (0.62) MAPTALDH1A1CHRNA7DRD2DRD1

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
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 (2 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-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 KDM1A 4822/4885MAPT 77/4885ADRA2A 3168/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 KDM1A 4822/4885MAPT 77/4885ADRA2A 3168/4885

“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.