SCHEMBL5352465

SCHEMBL5352465

O=C(O)C1(C(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
EPHX2 P34913 1/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CASP3 P42574 2/20 0.38
TSHR P16473 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 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
SCHEMBL9073538 0.87 FABP5 (0.44) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL7198199 0.84 KMT2A (0.41) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL7632240 0.84 KMT2A (0.41) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL29811163 0.84 KMT2A (0.45) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL31671081 0.81 KMT2A (0.49) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL12451167 0.79 KMT2A (0.49) FABP5FABP7EPHX2KMT2ACA1
SCHEMBL29624561 0.78 KMT2A (0.50) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL29624551 0.78 KMT2A (0.50) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL30594467 0.78 KMT2A (0.50) FABP5FABP7EPHX2KMT2ACASP3
SCHEMBL7401413 0.78 KMT2A (0.50) FABP5FABP7EPHX2KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 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-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 FABP5 3460/4885FABP7 3192/4885EPHX2 4214/4885

“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.