SCHEMBL6517627

SCHEMBL6517627

C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
FABP5 Q01469 3/20 0.36
FABP7 O15540 2/20 0.36
KMT2A Q03164 2/20 0.35
CASP3 P42574 3/20 0.35
MDM4 O15151 2/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL6513653 0.92 EPHX2 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL31342808 0.88 FABP5 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL2922121 0.88 FABP5 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL4405189 0.79 KEAP1 (0.35) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL1905118 0.79 FABP5 (0.44) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL599683 0.79 FABP5 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL29474439 0.79 FABP5 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL29763559 0.79 FABP5 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL29201750 0.79 FABP5 (0.39) EPHX2FABP5FABP7KMT2ACASP3
SCHEMBL2447958 0.77 FABP5 (0.37) FABP5FABP7KMT2ACASP3MDM4

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-20050124535-A1 Cyclic peptide nanotube structures for molecular scale electronic and photonic devices WORCESTER POLYTECHNIC INSTITUTE 2005-06-09 US disclosed
US-6902720-B2 Cyclic peptide structures for molecular scale electronic and photonic devices WORCESTER POLYTECHNIC INSTITUTE (US) 2005-06-07 US disclosed
US-20030144185-A1 Cyclic peptide structures for molecular scale electronic and photonic devices WORCESTER POLYTECHNIC INSTITUTE 2003-07-31 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 (2 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-20050124535-A1 Cyclic peptide nanotube structures for molecular scale electronic and photonic devices NPPA, NGF, QRFPR EPHX2 1492/4885FABP5 2096/4885FABP7 1969/4885
US-20030144185-A1 Cyclic peptide structures for molecular scale electronic and photonic devices VIP, NPPA, NGLY1 EPHX2 1439/4885FABP5 991/4885FABP7 707/4885

“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.