SCHEMBL30759367

SCHEMBL30759367

O=C(NCC1CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
EPHX2 P34913 1/20 0.47
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CASP3 P42574 2/20 0.43
OPRD1 P41143 1/20 0.43
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 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
SCHEMBL27041477 1.00 KMT2A (0.55) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL22197915 1.00 KMT2A (0.55) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL27041463 1.00 KMT2A (0.55) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL29634835 0.90 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL22636086 0.90 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31369861 0.90 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31370166 0.90 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL118105 0.90 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL31693430 0.89 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL119618 0.89 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CASP3

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS KMT2A 2905/4885EPHX2 2688/4885FABP5 3546/4885

“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.