SCHEMBL10015232

SCHEMBL10015232

CC(C)(c1ccc2c(c1)OCN(c1ccccc1)C2)c1ccc2c(c1)OCN(c1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
ACLY P53396 1/20 0.38
VDR P11473 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
KCNQ2 O43526 1/20 0.32
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL40405 0.89 MAPT (0.41) NPC1MAPTRAB9AACLYVDR
SCHEMBL13823374 0.83 ALDH1A1 (0.38) NPC1MAPTRAB9AACLYVDR
SCHEMBL13169002 0.83 MAPT (0.37) NPC1MAPTRAB9AACLYVDR
SCHEMBL40426 0.82 RAB9A (0.38) NPC1MAPTRAB9AACLYVDR
SCHEMBL14694381 0.80 MAPT (0.41) NPC1MAPTRAB9AACLYVDR
SCHEMBL803057 0.80 MAPT (0.41) NPC1MAPTRAB9AACLYVDR
SCHEMBL17703322 0.80 MAPT (0.41) NPC1MAPTRAB9AACLYVDR
SCHEMBL22590645 0.80 NPC1 (0.35) NPC1MAPTRAB9AACLYVDR
SCHEMBL17902936 0.79 OXTR (0.40) NPC1MAPTRAB9AACLYVDR
SCHEMBL12066845 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029116-A1 CURABLE ADHESIVE COMPOSITIONS, PROCESS, AND APPLICATIONS TRILLION SCIENCE, INC. (US) 2012-02-02 US disclosed
US-20120029116-A1 CURABLE ADHESIVE COMPOSITIONS, PROCESS, AND APPLICATIONS TRILLION SCIENCE, INC. (US) 2012-02-02 US disclosed
US-8084553-B2 Curable adhesive compositions, process, and applications TRILLION SCIENCE, INC. (US) 2011-12-27 US disclosed
US-8084553-B2 Curable adhesive compositions, process, and applications TRILLION SCIENCE, INC. (US) 2011-12-27 US disclosed
US-20090181165-A1 Curable adhesive compositions, Process, and applications TRILLION SCIENCE, INC. (US) 2009-07-16 US disclosed
US-20090181165-A1 Curable adhesive compositions, Process, and applications TRILLION SCIENCE, INC. (US) 2009-07-16 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-20120029116-A1 CURABLE ADHESIVE COMPOSITIONS, PROCESS, AND APPLICATIONS RBX1, SUZ12, CDH1 NPC1 4850/4885MAPT 547/4885RAB9A 4443/4885
US-20090181165-A1 Curable adhesive compositions, Process, and applications RBX1, SUZ12, CDH1 NPC1 4850/4885MAPT 547/4885RAB9A 4443/4885

“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.