SCHEMBL4127686

SCHEMBL4127686

COc1ccc2c(c1OC(C)C)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ACACB O00763 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35
LMNA P02545 1/20 0.34
CES1 P23141 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11624186 0.86 KDM4E (0.35) ALDH1A1HPGDKDM4EACACBCES1
SCHEMBL8960045 0.84 KDM4E (0.49) ADRA1AADRA1DADRA1BHTR2AHTR2C
SCHEMBL4134322 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL11626560 0.80 ALDH1A1 (0.49) ADRA1AADRA1DADRA1BHTR2AHTR2C
SCHEMBL4126801 0.76 MAPT (0.37) MEN1KMT2AMAPTLMNA
SCHEMBL21872013 0.76 HTR2A (0.39) ADRA1AHTR2AHTR2CHTR2BMEN1
SCHEMBL4119937 0.75 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL4128606 0.75 KDM4E (0.42) ADRA1AALDH1A1HPGDKDM4EMAPK1
SCHEMBL9164896 0.75 NOS3 (0.37) ALDH1A1HPGDKDM4ECES1
SCHEMBL17770807 0.74 KDM4E (0.46) ADRA1AHTR2AHTR2CHTR2BMEN1

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 ADRA1A 3060/4885ADRA1D 2798/4885ADRA1B 2736/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 ADRA1A 3060/4885ADRA1D 2798/4885ADRA1B 2736/4885

“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.