SCHEMBL15522967

SCHEMBL15522967

COC(=O)Cc1ccc(CCCCc2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 4/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.42
HDAC2 Q92769 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
SCHEMBL4578656 0.81 CYP4F2 (0.66) L3MBTL1CYP4F2CYP4A11TRPV1MAPT
SCHEMBL15522492 0.81 HDAC1 (0.58) TRPV1HDAC1GAAHPGDALOX5
SCHEMBL17581887 0.80 HSP90AB1 (0.50) L3MBTL1CYP4F2CYP4A11MAPTRXFP1
SCHEMBL4741136 0.78 CYP4F2 (0.56) L3MBTL1CYP4F2CYP4A11MAPTKDM4E
SCHEMBL17581889 0.77 HSP90AB1 (0.44) L3MBTL1CYP4F2CYP4A11MAPTKDM4E
SCHEMBL4579913 0.77 SLC7A5 (0.58) CYP4F2CYP4A11TRPV1CA12CA7
SCHEMBL117432 0.76 MAPT (0.61) CES1FAAHCA12CA7CA9
SCHEMBL15577588 0.75 FAAH (0.51) L3MBTL1FAAHMAPTRXFP1ALDH1A1
SCHEMBL15522925 0.74 TDP1 (0.56) CES1L3MBTL1FAAHMAPTRXFP1
SCHEMBL9404041 0.74 MAPT (0.65) CES1FAAHCA12CA7CA9

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 4 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
WO-2014041424-A1 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE INC. (CA) 2014-03-20 WO 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 CES1 990/4885L3MBTL1 3976/4885FAAH 1702/4885

“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.