SCHEMBL15522984

SCHEMBL15522984

O=C(O)c1ccc(/C=C/CCc2ccccc2)o1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.47
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HCAR2 Q8TDS4 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
SCHEMBL15522985 1.00 GPR52 (0.47) GPR52HDAC4HDAC1NPC1RAB9A
SCHEMBL11332451 0.78 TDP1 (0.47) HDAC4HDAC1
SCHEMBL21654213 0.74 MEN1 (0.46) HDAC4HDAC1
SCHEMBL15366286 0.74 MEN1 (0.46) HDAC4HDAC1
SCHEMBL24401235 0.73 TDP1 (0.60) NPC1RAB9A
SCHEMBL9268265 0.71 GPR52 (0.54) GPR52HDAC1
SCHEMBL5020594 0.71 GPR52 (0.54) GPR52HDAC1
SCHEMBL17491863 0.71 KMT2A (0.54) HDAC4HDAC1NPC1RAB9AHCAR2
SCHEMBL17491864 0.71 KMT2A (0.54) HDAC4HDAC1NPC1RAB9AHCAR2
SCHEMBL15522925 0.70 TDP1 (0.56) HDAC4HDAC1NPC1RAB9A

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-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 GPR52 3920/4885HDAC4 9/4885HDAC1 1/4885

“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.