SCHEMBL16259491

SCHEMBL16259491

CC(C)(C)c1cc(NC(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HTT P42858 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
XBP1 P17861 1/20 0.53
EPHX2 P34913 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
CNR1 P21554 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
LMNA P02545 1/20 0.46
STAT1 P42224 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAF1 P04049 1/20 0.44

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
SCHEMBL16259489 0.90 MAPT (0.70) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL28854422 0.88 ALDH1A1 (0.51) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL2346923 0.86 GPR35 (0.47) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL14200242 0.84 ALDH1A1 (0.60) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL16259464 0.83 MAPT (0.51) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL7758352 0.83 KIF11 (0.59) MAPTNPC1GABRA1GABRB2HDAC3
SCHEMBL27799352 0.81 SMN1; SMN2 (0.47) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL16106347 0.80 KCNK9 (0.46) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL32675964 0.79 RAF1 (0.65) MAPTHTTRAB9ANPC1MAPK1
SCHEMBL2681462 0.77 MAPT (0.78) MAPTHTTRAB9AMEN1KMT2A

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 MAPT 642/4885HTT 3028/4885RAB9A 3133/4885
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA MAPT 642/4885HTT 3028/4885RAB9A 3133/4885

“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.