SCHEMBL10106196

SCHEMBL10106196

CCCCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.54
PPARA Q07869 4/20 0.53
PPARG P37231 3/20 0.53
LTA4H P09960 2/20 0.51
CETP P11597 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10106193 0.92 PPARA (0.60) FDFT1PPARAPPARGLTA4HCETP
SCHEMBL23085167 0.91 PPARA (0.62) PPARAPPARGLTA4HCETP
SCHEMBL10624215 0.91 PPARA (0.62) PPARAPPARGLTA4HCETP
SCHEMBL2874471 0.91 PPARA (0.62) PPARAPPARGLTA4HCETP
SCHEMBL29959530 0.91 PPARA (0.62) PPARAPPARGLTA4HCETP
SCHEMBL11508066 0.89 PPARA (0.61) FDFT1PPARAPPARGLTA4HCETP
SCHEMBL10106203 0.88 FDFT1 (0.58) FDFT1PPARAPPARGCETP
SCHEMBL6795855 0.88 LTA4H (0.55) FDFT1PPARAPPARGLTA4HCETP
SCHEMBL28547948 0.86 PPARA (0.63) PPARAPPARGCETP
SCHEMBL176242 0.86 PPARA (0.63) PPARAPPARGCETP

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 FDFT1 1987/4885PPARA 3798/4885PPARG 4092/4885

“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.