SCHEMBL1829609

SCHEMBL1829609

CCc1ccc(CC)c(NCNc2cc(CC)ccc2CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KAT2B Q92831 1/20 0.36
PLK1 P53350 1/20 0.34
CXCR4 P61073 1/20 0.34
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
NLRP1 Q9C000 1/20 0.33
METAP2 P50579 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL10541651 0.88 HDAC8 (0.40) HDAC8TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL29196075 0.83 TRPA1 (0.41) HDAC8TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL28856302 0.79 MAPT (0.41) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL1424371 0.78 METAP2 (0.38) HDAC8TRPA1ALDH1A1LMNAMAPK1
Bromide SCHEMBL20984475 0.78 MAPT (0.40) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
Hydrochloric Acid SCHEMBL20984391 0.78 MAPT (0.40) TRPA1CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL8082331 0.76 TRPA1 (0.36) HDAC8TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL11851841 0.76 TRPA1 (0.36) HDAC8TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL1696247 0.75 CSNK2A1 (0.41) HDAC8ALDH1A1LMNAMAPTKAT2B
SCHEMBL20984115 0.73 GAA (0.43) TRPA1ALDH1A1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318450-B1 NOVEL CURING AGENTS AND PROCESS FOR THEIR MANUFACTURE HEXCEL COMPOSITES LTD (GB) 2014-02-26 EP disclosed
US-8461275-B2 Curing agents and process for their manufacture Hexcal Composites Limited (GB) 2013-06-11 US disclosed
US-20110130525-A1 NOVEL CURING AGENTS AND PROCESS FOR THEIR MANUFACTURE Hexcel Corporation Ltd (GB) 2011-06-02 US disclosed
EP-2318450-A2 NOVEL CURING AGENTS AND PROCESS FOR THEIR MANUFACTURE Hexcel Composites Limited (GB) 2011-05-11 EP disclosed
WO-2010018392-A2 NOVEL CURING AGENTS AND PROCESS FOR THEIR MANUFACTURE HEXCEL COMPOSITES LIMITED (GB) 2010-02-18 WO 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 (1 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-20110130525-A1 NOVEL CURING AGENTS AND PROCESS FOR THEIR MANUFACTURE ARCN1, PUF60, RCOR1 HDAC8 2562/4885TRPA1 3122/4885CYP1A2 2622/4885

“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.