SCHEMBL15522906

SCHEMBL15522906

COC(=O)Cc1ccc(CCC#Cc2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
F2RL1 P55085 1/20 0.47
ACACB O00763 1/20 0.46
MAPT P10636 2/20 0.45
KLK7 P49862 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15586040 0.93 CYP4F2 (0.58) CYP4F2CYP4A11FFAR1FFAR4HTT
SCHEMBL15581448 0.88 CYP4F2 (0.53) CYP4F2CYP4A11FFAR1FFAR4ALDH1A1
SCHEMBL4578847 0.88 FFAR1 (0.63) CYP4F2CYP4A11FFAR1FFAR4HTT
SCHEMBL15581420 0.88 CYP4F2 (0.53) CYP4F2CYP4A11FFAR1FFAR4HTT
SCHEMBL15522776 0.82 CYP4F2 (0.47) CYP4F2CYP4A11FFAR1FFAR4HTT
SCHEMBL7042002 0.81 CYP4F2 (0.58) CYP4F2CYP4A11FFAR1FFAR4HTT
SCHEMBL313139 0.81 HTT (0.69) CYP4F2CYP4A11HTTALDH1A1F2RL1
SCHEMBL15522689 0.79 CYP4F2 (0.64) CYP4F2CYP4A11HTTALDH1A1F2RL1
SCHEMBL7421875 0.78 CYP4F2 (0.62) CYP4F2CYP4A11ALDH1A1MAPTSMN1; SMN2
SCHEMBL4579260 0.78 CYP4F2 (0.57) CYP4F2CYP4A11FFAR1HTTALDH1A1

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 2 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

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 CYP4F2 2410/4885CYP4A11 840/4885FFAR1 2423/4885

“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.