SCHEMBL16259447

SCHEMBL16259447

c1cc2ccc1COCCOCCOCc1ccc(cc1)COCCOCCOC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
LMNA P02545 4/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.36
APEX1 P27695 1/20 0.33
MAPT P10636 2/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL16259453 1.00 TTR (0.40) TTRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL6929056 0.82
SCHEMBL16259448 0.79 LMNA (0.37) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL16259458 0.79
SCHEMBL16259450 0.78 LMNA (0.35) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL16259454 0.78 LMNA (0.35) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL4200983 0.69 LMNA (0.35) TTRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL11505396 0.69 LMNA (0.48) TTRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL11508366 0.69 LMNA (0.48) TTRLMNACRHBPCRHR2SMN1; SMN2
SCHEMBL11227471 0.69 LMNA (0.48) TTRLMNACRHBPCRHR2SMN1; SMN2

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 TTR 3223/4885LMNA 4145/4885CRHBP 360/4885
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA TTR 3223/4885LMNA 4145/4885CRHBP 360/4885

“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.