SCHEMBL15218686

SCHEMBL15218686

C#Cc1ccc(N2C(=O)c3ccc(C#CC)cc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
ESR1 P03372 4/20 0.44
ESR2 Q92731 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA9 Q16790 6/20 0.40
CA1 P00915 5/20 0.40
CA12 O43570 4/20 0.40
CA2 P00918 3/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 1/20 0.38

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) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL2624624 0.86 ESR1 (0.43) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL15218684 0.85 ESR1 (0.64) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL22566820 0.84 BRD4 (0.50) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL2625350 0.84 GRM5 (0.48) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL13444931 0.83 ALDH1A1 (0.59) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL2710552 0.82 ESR1 (0.50) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL2625318 0.82 ALDH1A1 (0.44) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL2631560 0.82 CA9 (0.64) ALDH1A1RAB9AMEN1KMT2ANPSR1
SCHEMBL2631559 0.81 ESR1 (0.49) ALDH1A1NPC1TSHRCASP1RAB9A

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 ALDH1A1 3095/4885NPC1 4650/4885TSHR 3938/4885

“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.