SCHEMBL15218684

SCHEMBL15218684

CC#Cc1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.64
ESR2 Q92731 4/20 0.64
POLB P06746 2/20 0.54
APAF1 O14727 1/20 0.54
BRD4 O60885 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 2/20 0.48
RAB9A P51151 2/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR1H3 Q13133 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL2625351 0.91 ALDH1A1 (0.53) ESR1ESR2POLBMEN1KMT2A
SCHEMBL15218686 0.85 ALDH1A1 (0.48) ESR1ESR2POLBMEN1KMT2A
SCHEMBL2631560 0.85 CA9 (0.64) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL15218685 0.85 ESR1 (0.67) ESR1ESR2POLBBRD4MEN1
SCHEMBL2471106 0.84 ESR1 (0.63) ESR1ESR2POLBAPAF1BRD4
SCHEMBL22566820 0.84 BRD4 (0.50) ESR1ESR2POLBBRD4MEN1
SCHEMBL2625350 0.84 GRM5 (0.48) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2710552 0.82 ESR1 (0.50) ESR1MEN1KMT2AALDH1A1NPC1
SCHEMBL2625318 0.82 ALDH1A1 (0.44) ESR1ESR2POLBMEN1KMT2A
SCHEMBL2631559 0.81 ESR1 (0.49) ESR1MEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303328-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2014-10-09 US 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
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
US-20130225769-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2013-08-29 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 (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 3681/4885ESR2 1846/4885POLB 639/4885

“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.