SCHEMBL10106173

SCHEMBL10106173

CCC(=O)NCCCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.70
MTNR1B P49286 4/20 0.70
FDFT1 P37268 4/20 0.65
RECQL P46063 1/20 0.57

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
SCHEMBL10106156 0.96 MTNR1A (0.76) MTNR1AMTNR1BFDFT1RECQL
SCHEMBL10106169 0.91 MTNR1A (0.68) MTNR1AMTNR1BFDFT1RECQL
SCHEMBL8928088 0.87 MTNR1A (0.92) MTNR1AMTNR1B
SCHEMBL10106174 0.86 FDFT1 (0.71) MTNR1AMTNR1BFDFT1
SCHEMBL31036087 0.86 MTNR1A (0.90) MTNR1AMTNR1B
SCHEMBL10106270 0.84 FDFT1 (0.72) MTNR1AMTNR1BFDFT1
SCHEMBL3919664 0.83 TRPV1 (0.71) MTNR1AMTNR1BRECQL
Potassium SCHEMBL416658 0.83 FDFT1 (0.73) FDFT1
SCHEMBL416656 0.83 FDFT1 (0.73) FDFT1
SCHEMBL10106158 0.83 FDFT1 (0.72) MTNR1AMTNR1BFDFT1

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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP MTNR1A 4586/4885MTNR1B 4592/4885FDFT1 1987/4885

“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.