SCHEMBL10106170

SCHEMBL10106170

CCS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
FDFT1 P37268 9/20 0.52
AKR1C3 P42330 1/20 0.51
POLB P06746 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL10106368 0.88 POLB (0.68) FDFT1AKR1C3POLBMTNR1AMTNR1B
SCHEMBL10106243 0.84 FDFT1 (0.56) FDFT1AKR1C3
SCHEMBL28028806 0.82 MEN1 (0.90) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL10106156 0.80 MTNR1A (0.76) FDFT1MTNR1AMTNR1B
SCHEMBL6795855 0.78 LTA4H (0.55) FDFT1ALDH1A1
SCHEMBL12721428 0.77 SMN1; SMN2 (0.62) AKR1C3MTNR1AMTNR1B
SCHEMBL8970829 0.77 FDFT1 (0.55) FDFT1ALDH1A1
SCHEMBL10106173 0.76 MTNR1A (0.70) FDFT1MTNR1AMTNR1B
SCHEMBL10106193 0.76 PPARA (0.60) FDFT1
SCHEMBL8977543 0.76 FDFT1 (0.55) FDFT1

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 MEN1 4323/4885KMT2A 4262/4885FDFT1 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.