SCHEMBL15522658

SCHEMBL15522658

COC(=O)Cc1ccc(CCCCc2ccc(N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.64
CYP4F2 P78329 2/20 0.64
ALDH1A1 P00352 4/20 0.53
GFER P55789 2/20 0.53
GAA P10253 1/20 0.53
MAOB P27338 2/20 0.48
HSP90AB1 P08238 1/20 0.44
KMT2A Q03164 1/20 0.43
GLS O94925 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15586041 0.91 CYP4A11 (0.75) CYP4A11CYP4F2ALDH1A1GFERGAA
SCHEMBL1161121 0.91 CYP4F2 (0.63) CYP4A11CYP4F2ALDH1A1GFERGAA
Hydrochloric Acid SCHEMBL6801556 0.89 CYP4F2 (0.61) CYP4A11CYP4F2ALDH1A1GFERGAA
SCHEMBL11493064 0.87 CYP4A11 (0.75) CYP4A11CYP4F2ALDH1A1GFERGAA
SCHEMBL9689657 0.86 MAOB (0.48) CYP4A11CYP4F2MAOBHPGD
SCHEMBL23200335 0.85 HPGD (0.49) CYP4A11CYP4F2ALDH1A1GAAMAOB
SCHEMBL17262795 0.85 HPGD (0.49) CYP4A11CYP4F2ALDH1A1GAAMAOB
SCHEMBL11131179 0.85 CYP4A11 (0.62) CYP4A11CYP4F2ALDH1A1GFERGAA
SCHEMBL7996038 0.84 CYP4F2 (0.56) CYP4A11CYP4F2ALDH1A1GFERGAA
SCHEMBL1351101 0.84 TSHR (0.48) CYP4A11CYP4F2GFERMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents HDAC1, HDAC5, HDAC7 CYP4A11 840/4885CYP4F2 2410/4885ALDH1A1 1728/4885

“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.