SCHEMBL3427906

SCHEMBL3427906

O=C1CCC(=O)C2C3CCC(CC3)C12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TLR4 O00206 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL13497137 0.88 MEN1 (0.35) KMT2AMEN1TLR4
SCHEMBL15463086 0.85 CA1 (0.39) KMT2AMEN1TLR4CA1CA2
SCHEMBL20969080 0.85 CA1 (0.39) KMT2AMEN1TLR4CA1CA2
SCHEMBL20969085 0.85 CA1 (0.39) KMT2AMEN1TLR4CA1CA2
SCHEMBL430135 0.80 MEN1 (0.34) KMT2AMEN1
SCHEMBL448968 0.80 MEN1 (0.34) KMT2AMEN1
SCHEMBL446437 0.80 MEN1 (0.34) KMT2AMEN1
SCHEMBL9409590 0.73 CA1 (0.34) KMT2ACA1CA2CA4
SCHEMBL20562072 0.72 MEN1 (0.37) KMT2AMEN1
SCHEMBL22862061 0.70 CA1 (0.37) KMT2ACA1CA2CA4

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-7662750-B2 Protein-protein interaction antagonist screening libraries based upon 1,4-disubstituted naphthalenes and related scaffolds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-02-16 US disclosed
US-20050153366-A1 Protein-protein interaction antagonist screening libraries based upon 1,4-disubstituted naphthalenes and related scaffolds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-07-14 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-20050153366-A1 Protein-protein interaction antagonist screening libraries based upon 1,4-disubstituted naphthalenes and related scaffolds RIPK4, RIPK2, ATRIP KMT2A 4515/4885MEN1 4003/4885TLR4 4474/4885

“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.