SCHEMBL118115

SCHEMBL118115

O=C(O)C[C@@H](Cc1cccc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
KMT2A Q03164 2/20 0.45
CASP1 P29466 2/20 0.45
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
SLC17A5 Q9NRA2 1/20 0.43
EPHX2 P34913 1/20 0.43
MDM2 Q00987 3/20 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
SCHEMBL118132 1.00 CASP3 (0.53) CASP3KMT2ACASP1MDM4TP53
SCHEMBL4667137 1.00 CASP3 (0.53) CASP3KMT2ACASP1MDM4TP53
SCHEMBL3725027 0.86 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL29401862 0.86 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL3725031 0.86 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL29547912 0.86 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL800112 0.86 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL29397967 0.86 MDM4 (0.53) CASP3MDM4TP53SLC17A5MDM2
SCHEMBL33377900 0.85 CASP3 (0.53) CASP3KMT2AMDM4TP53SLC17A5
SCHEMBL22960733 0.85 CASP3 (0.53) CASP3KMT2AMDM4TP53SLC17A5

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-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR CASP3 4164/4885KMT2A 107/4885CASP1 4649/4885

“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.