SCHEMBL25658609

SCHEMBL25658609

O=C(N[C@@H]1CCCC[C@H]1C(=O)OC(c1ccccc1)(c1ccc(/C2=C/CCCCCCCCCCC2)cc1)c1ccccc1Cl)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ HDAC2 Q92769 3/20 0.32
▸ HDAC1 Q13547 2/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL25658608 0.87 FABP7 (0.37) FABP7FABP5KMT2A
SCHEMBL25657668 0.87 FABP5 (0.38) FABP7FABP5KMT2AMDM2
SCHEMBL25658613 0.86 FABP7 (0.36) FABP7FABP5KMT2A
SCHEMBL25658612 0.86 FABP7 (0.36) FABP7FABP5KMT2A
SCHEMBL25657669 0.85 FABP5 (0.38) FABP7FABP5KMT2AMDM2
SCHEMBL24579138 0.72 KMT2A (0.39) FABP7FABP5KMT2A
SCHEMBL800127 0.71 KMT2A (0.50) FABP7FABP5KMT2A
SCHEMBL2384012 0.71 KMT2A (0.50) FABP7FABP5KMT2A
SCHEMBL119535 0.71 KMT2A (0.50) FABP7FABP5KMT2A
SCHEMBL30055254 0.71 KMT2A (0.50) FABP7FABP5KMT2A

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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 — — 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS FABP7 4602/4885FABP5 4094/4885KMT2A 3145/4885

“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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