SCHEMBL12067889

SCHEMBL12067889

COC(=O)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ FABP7 O15540 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ PIN1 Q13526 1/20 0.44

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
SCHEMBL15317927 1.00 CASP3 (0.51) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL12069026 0.90 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL9995014 0.90 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL21243785 0.90 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31000491 0.90 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL17703894 0.90 CASP3 (0.50) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL15317929 0.90 CASP3 (0.49) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31000521 0.87 KMT2A (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31000700 0.87 KMT2A (0.48) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL7390390 0.86 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 — — US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 — — US disclosed
WO-2011159177-A1 IMPROVED AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2011-12-22 — — 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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 CASP3 2415/4885KMT2A 1657/4885MDM4 1863/4885

“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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