SCHEMBL13259973

SCHEMBL13259973

CC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.46
▸ FABP7 O15540 2/20 0.46
▸ FFAR2 O15552 5/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36

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
SCHEMBL31159434 0.91 FABP5 (0.51) FABP5FABP7FFAR2KMT2A
SCHEMBL799703 0.91 FABP5 (0.51) FABP5FABP7FFAR2KMT2A
SCHEMBL3366299 0.91 FABP5 (0.51) FABP5FABP7FFAR2KMT2A
Fluoride SCHEMBL7821537 0.89 FABP5 (0.50) FABP5FABP7FFAR2KMT2A
SCHEMBL31369486 0.85 ACE (0.47) FABP5FABP7FFAR2MAOAMAOB
SCHEMBL31370144 0.84 FABP5 (0.49) FABP5FABP7FFAR2KMT2AEPHX2
SCHEMBL31369417 0.83 FFAR2 (0.44) FABP5FABP7FFAR2EPHX2
SCHEMBL31369524 0.81 FFAR2 (0.56) FABP5FABP7FFAR2
SCHEMBL31370160 0.79 FFAR2 (0.41) FABP5FABP7FFAR2
SCHEMBL3727517 0.78 XIAP (0.46) KMT2A

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-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 — — 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS FABP5 2556/4885FABP7 4167/4885FFAR2 4350/4885

“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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