SCHEMBL10106175

SCHEMBL10106175

CCC(=O)NCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.59
GAA P10253 1/20 0.59
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
HDAC2 Q92769 2/20 0.55
RECQL P46063 1/20 0.55
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
HDAC1 Q13547 1/20 0.54
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.53
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL30259923 0.90 MTNR1A (0.61) MTNR1AMTNR1BKMT2A
SCHEMBL7598872 0.90 L3MBTL1 (0.74) L3MBTL1HPGDGAAMTNR1AMTNR1B
SCHEMBL3919664 0.85 TRPV1 (0.71) L3MBTL1HPGDGAAMTNR1AMTNR1B
SCHEMBL25139566 0.84 L3MBTL1 (0.66) L3MBTL1HPGDGAAMTNR1AMTNR1B
SCHEMBL31035861 0.84 TRPV1 (0.73) L3MBTL1HPGDGAARECQLKMT2A
SCHEMBL31035980 0.84 TRPV1 (0.73) L3MBTL1HPGDGAARECQLKMT2A
SCHEMBL31036003 0.84 TRPV1 (0.73) L3MBTL1HPGDGAARECQLKMT2A
SCHEMBL413313 0.81 L3MBTL1 (0.56) L3MBTL1HPGDGAAHDAC2CYP2C9
SCHEMBL13652538 0.80 LMNA (0.70) L3MBTL1GAAHDAC2CYP2C19CYP3A4
SCHEMBL154367 0.80 MTNR1A (0.73) L3MBTL1HPGDMTNR1AMTNR1BHDAC2

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 L3MBTL1 897/4885HPGD 3631/4885GAA 1378/4885

“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.