SCHEMBL4121441

SCHEMBL4121441

COc1ccc(C(O)C2=CCCCc3c2cc(OC)c(OC)c3OC)c(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
SI P14410 3/20 0.39
MGAM2 Q2M2H8 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 1/20 0.37
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL4121751 0.79 PDE4D (0.44) MGAMGAASIMGAM2HTR1A
SCHEMBL4136662 0.70 TUBB4A (0.35) HTR1AHTR7CYP2C19HTR2AHTR2C
SCHEMBL5713193 0.66 ALDH1A1 (0.54) NPC1RAB9A
SCHEMBL27996660 0.66 KDM4E (0.43) MGAMGAASIMGAM2HTR1A
SCHEMBL7502526 0.64 MAPT (0.39) HTR7RAB9AHTR2AHTR2C
SCHEMBL4127864 0.64 ALDH1A1 (0.38) HTR1AHTR7CYP2C19HTR2AHTR2C
SCHEMBL24162553 0.63 BCHE (0.46) MGAMGAASIMGAM2HTR1A
SCHEMBL9323521 0.63 ALDH1A1 (0.64) GAAHTR1ANPC1RAB9A
SCHEMBL30302266 0.63 BCHE (0.46) MGAMGAASIMGAM2HTR1A
SCHEMBL1771842 0.63 TUBB4A (0.39)

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 5 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
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 (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 MGAM 4093/4885GAA 1419/4885SI 2493/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 MGAM 4093/4885GAA 1419/4885SI 2493/4885

“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.