SCHEMBL4133596

SCHEMBL4133596

C1=CCCc2ccccc2C=C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ TSHR P16473 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HTR2C P28335 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
SCHEMBL4133590 1.00 PARP1 (0.36) PARP1MAOBTSHRCA1CA2
SCHEMBL160705 0.84 PARP1 (0.40) PARP1MAOBTSHRCA1CA2
SCHEMBL29385098 0.84 PARP1 (0.40) PARP1MAOBTSHRCA1CA2
SCHEMBL9420914 0.82 PARP1 (0.39) PARP1MAOBTSHRCA1CA2
Methane SCHEMBL27705727 0.82 PARP1 (0.39) PARP1MAOBTSHRCA1CA2
Lithium SCHEMBL9420915 0.82 PARP1 (0.39) PARP1MAOBTSHRCA1CA2
SCHEMBL27701784 0.82 PARP1 (0.39) PARP1MAOBTSHRCA1CA2
Iodide SCHEMBL28897108 0.82 PARP1 (0.39) PARP1MAOBTSHRCA1CA2
Water SCHEMBL27782064 0.82 PARP1 (0.39) PARP1MAOBTSHRCA1CA2
SCHEMBL15638199 0.78 PARP1 (0.36) PARP1MAOBTSHRCA1CA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61018734-A — — None — — JP disclosed
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
JP-S6118734-A PRODUCTION OF LIGNAN TSUMURA JUNTENDO INC 1986-01-27 — — JP 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 PARP1 207/4885MAOB 3732/4885TSHR 3943/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 PARP1 207/4885MAOB 3732/4885TSHR 3943/4885

“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.

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