SCHEMBL16259451

SCHEMBL16259451

c1cc2cc(c1)CNCc1ccc(cc1)COCCOCCOCc1ccc(cc1)CNC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.44
CHKA P35790 3/20 0.33
TERT O14746 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
SCHEMBL16259482 0.80 APEX1 (0.31) APEX1
SCHEMBL4359812 0.77
SCHEMBL19089065 0.77 APEX1 (0.42) APEX1CHKATERT
SCHEMBL21955684 0.77 APEX1 (0.42) APEX1CHKATERT
SCHEMBL16259453 0.74 TTR (0.40) APEX1
SCHEMBL16259447 0.74 TTR (0.40) APEX1
SCHEMBL4946987 0.71 CHKA (0.38) APEX1CHKATERT
SCHEMBL27349429 0.70 APEX1 (0.45) APEX1
SCHEMBL16259449 0.68 CXCR4 (0.37) APEX1
SCHEMBL27351093 0.68 APEX1 (0.46) APEX1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085548-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-21 US disclosed
US-9085548-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-21 US disclosed
US-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-19 US disclosed
US-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-19 US disclosed
US-8952167-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-10 US disclosed
US-8952167-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-10 US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 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-20150051393-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA APEX1 705/4885CHKA 4329/4885TERT 1244/4885
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA APEX1 705/4885CHKA 4329/4885TERT 1244/4885

“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.