SCHEMBL4133594

SCHEMBL4133594

C1=CCCC(C2=CCCCCCC2)=C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ELANE P08246 1/20 0.30
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL5327628 0.98 TYMP (0.33) TYMPTDP1ALDH1A1CYP3A4ACMSD
SCHEMBL2313332 0.84
SCHEMBL10662919 0.84
SCHEMBL9835114 0.84
SCHEMBL10662903 0.84
SCHEMBL9835108 0.84
SCHEMBL10662910 0.84
SCHEMBL2313333 0.84
SCHEMBL1999636 0.82
SCHEMBL1999637 0.82

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 12 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
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 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 TYMP 61/4885TDP1 907/4885ALDH1A1 4033/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 TYMP 61/4885TDP1 907/4885ALDH1A1 4033/4885

“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.