SCHEMBL2726528

SCHEMBL2726528

CCCCCCC#Cc1cccc2c1C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HSPA1A P0DMV8 1/20 0.47
PABPC1 P11940 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
CDC25B P30305 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP3A4 P08684 4/20 0.40
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PGR P06401 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL2732863 0.95 HSD17B10 (0.52) HSD17B10ALOX15MAPK1HSPA1APABPC1
SCHEMBL31415633 0.75 KCNH2 (0.46) HSD17B10ALOX15CYSLTR2CYSLTR1CYP3A4
SCHEMBL2810677 0.75 KCNH2 (0.46) HSD17B10ALOX15CYSLTR2CYSLTR1CYP3A4
SCHEMBL2726989 0.75 HSPA1A (0.54) HSD17B10ALOX15MAPK1HSPA1APABPC1
SCHEMBL5085494 0.73 KCNH2 (0.43) HSD17B10ALOX15CYSLTR2CYSLTR1CYP3A4
SCHEMBL23276782 0.73 STAT3 (0.59) TSHRALDH1A1TDP1CYP1A2
SCHEMBL23276488 0.73 STAT3 (0.59) TSHRALDH1A1TDP1CYP1A2
SCHEMBL6371432 0.72 KCNH2 (0.58) HSD17B10ALOX15CYSLTR2CYSLTR1CYP3A4
SCHEMBL7675911 0.72 HSPA1A (0.54) HSD17B10ALOX15MAPK1HSPA1APABPC1
SCHEMBL23276401 0.71 STAT3 (0.60) TSHRALDH1A1TDP1CYP1A2

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
EP-2630115-B1 Crosslinking monomers for aliphatic polyamides NEXAM CHEMICAL AB (SE) 2014-05-14 EP claimed
US-20130225769-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2013-08-29 US claimed
US-20140303328-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2014-10-09 US disclosed
US-8772418-B2 Cross-linker NEXAM CHEMICAL AB (SE) 2014-07-08 US disclosed
EP-2630115-B1 Crosslinking monomers for aliphatic polyamides NEXAM CHEMICAL AB (SE) 2014-05-14 EP disclosed
US-20130225769-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2013-08-29 US disclosed
EP-2630115-A1 CROSS-LINKER Nexam Chemical AB (SE) 2013-08-28 EP disclosed
WO-2012052550-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2012-04-26 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-20140303328-A1 CROSS-LINKER CAPZA2, PAPSS1, CHIA HSD17B10 3154/4885ALOX15 3582/4885MAPK1 4813/4885

“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.