SCHEMBL2710552

SCHEMBL2710552

CC#Cc1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C#CC)cc4C3=O)c1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP7 P55210 1/20 0.43
MAPT P10636 1/20 0.42
NR1H3 Q13133 1/20 0.42
SCN2A Q99250 1/20 0.41
ANPEP P15144 1/20 0.41
DPP4 P27487 1/20 0.41
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL2631559 0.95 ESR1 (0.49) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL15218685 0.90 ESR1 (0.67) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL2624619 0.90 GRM5 (0.46) ESR1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2624624 0.89 ESR1 (0.43) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL2625351 0.87 ALDH1A1 (0.53) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL2631558 0.87 S100B (0.58) RAB9AALDH1A1MEN1KMT2AMAPK1
SCHEMBL2625320 0.87 ESR1 (0.42) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL16937189 0.84 GRM5 (0.51) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL2625350 0.84 GRM5 (0.48) ESR1NPC1RAB9AALDH1A1MEN1
SCHEMBL22580652 0.82 TDP1 (0.51) ESR1NPC1RAB9AALDH1A1MEN1

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
WO-2015110502-A1 COMBINATION OF CROSS-LINKERS NEXAM CHEMICAL AB (SE) 2015-07-30 WO disclosed
EP-2899179-A1 Combination of cross-linkers including carbon-carbon triple bonds Nexam Chemical AB (SE) 2015-07-29 EP disclosed
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 ESR1 3681/4885NPC1 4650/4885RAB9A 4817/4885

“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.