SCHEMBL18362192

SCHEMBL18362192

C=CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ SLC17A5 Q9NRA2 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ CASP1 P29466 2/20 0.41

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
SCHEMBL14582839 1.00 EPHX2 (0.47) EPHX2KMT2AALDH1A1MDM4TP53
SCHEMBL30638145 0.91 MDM2 (0.47) EPHX2KMT2AALDH1A1MDM4TP53
SCHEMBL14060845 0.87 PTPN1 (0.46) EPHX2KMT2AALDH1A1MDM4TP53
SCHEMBL20099715 0.87 PTPN1 (0.45) ALDH1A1MDM4TP53CASP3PTPN1
SCHEMBL26328832 0.87 PTPN1 (0.45) ALDH1A1MDM4TP53CASP3PTPN1
SCHEMBL29516104 0.86 BACE1 (0.50) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL28468556 0.86 BACE1 (0.50) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL31028497 0.86 HDAC1 (0.51) EPHX2KMT2AMDM4TP53PTPN1
SCHEMBL29398876 0.86 HDAC1 (0.51) EPHX2KMT2AMDM4TP53PTPN1
SCHEMBL28468555 0.86 BACE1 (0.50) EPHX2KMT2AMDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170003289-A1 METHODS AND MATERIALS FOR ASSESSING ENZYME-NUCLEIC ACID COMPLEXES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2017-01-05 — — 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-20170003289-A1 METHODS AND MATERIALS FOR ASSESSING ENZYME-NUCLEIC ACID COMPLEXES RNGTT, DNASE1, POLRMT EPHX2 2219/4885KMT2A 1502/4885ALDH1A1 2032/4885

“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.

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