SCHEMBL1829607

SCHEMBL1829607

CCc1cc(N)c(CC)c(Cc2cc(CC)cc(N)c2CC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.40
DHFR P00374 3/20 0.38
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 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
SCHEMBL395488 0.89 DHFR (0.42) HSPA5DHFRALDH1A1SLC6A2SLC6A4
SCHEMBL2140622 0.84 NOS3 (0.38) DHFRCYP1A2SLC6A2SLC6A4NOS3
SCHEMBL7941023 0.77 DHFR (0.37) HSPA5DHFRALDH1A1SLC6A2SLC6A4
SCHEMBL18951028 0.76 HSPA5 (0.37) HSPA5DHFRALDH1A1CYP1A2ALOX15
SCHEMBL21052048 0.74 CYP3A4 (0.39) SLC6A2SLC6A4NOS3NOS1NOS2
SCHEMBL31676788 0.74 CYP3A4 (0.39) SLC6A2SLC6A4NOS3NOS1NOS2
SCHEMBL2776269 0.74 CYP3A4 (0.39) HSPA5ALDH1A1CYP1A2ALOX15CASP7
SCHEMBL11803532 0.73 HTT (0.42) HSPA5DHFRALDH1A1SLC6A2SLC6A4
SCHEMBL10824494 0.73 HTT (0.47) HSPA5DHFRALDH1A1CYP1A2ALOX15
SCHEMBL11438351 0.72 HSPA5 (0.35) HSPA5DHFRALDH1A1CYP1A2ALOX15

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 HSPA5 1961/4885DHFR 1146/4885ALDH1A1 468/4885

“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.