SCHEMBL16702012

SCHEMBL16702012

N=C(NCC(N)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ EPHX2 P34913 1/20 0.44
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ FABP7 O15540 2/20 0.40
▸ FABP5 Q01469 2/20 0.40
▸ TLR2 O60603 2/20 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
SCHEMBL31041102 0.88 KMT2A (0.57) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL8170342 0.88 KMT2A (0.57) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL3871611 0.88 KMT2A (0.57) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL12921580 0.87 KMT2A (0.53) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL14438603 0.81 KMT2A (0.52) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL16915228 0.79 KMT2A (0.61) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL17751746 0.79 KMT2A (0.55) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL29484077 0.79 KMT2A (0.61) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL17746950 0.79 KMT2A (0.61) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL423641 0.79 KMT2A (0.61) KMT2AEPHX2MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method LUBRIZOL ADVANCED MATERIALS, INC. 2016-10-13 — — US disclosed
EP-3065831-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD Lubrizol Advanced Materials, Inc. (US) 2016-09-14 — — EP disclosed
CN-105916556-A Semi-permanent hair straightening composition and method 路博润先进材料公司 2016-08-31 — — CN disclosed
WO-2015069823-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-05-14 — — 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-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method KRT18, PRKDC, DNMT1 KMT2A 516/4885EPHX2 2924/4885MDM4 3488/4885

“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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