SCHEMBL4560916

SCHEMBL4560916

CCC(c1ccccc1)(c1ccccc1)C(C)(C)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.42
KCNN4 O15554 5/20 0.41
KIF11 P52732 2/20 0.41
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL2030597 0.81 MAPT (0.59) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL1059140 0.75 KCNN4 (0.48) CYP2C19HIF1AKCNN4LMNATAAR1
SCHEMBL431187 0.75 HTT (0.59) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL3138017 0.75 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL3837958 0.75 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL4030430 0.75 MAPT (0.55) MAPTKMT2AHTTKCNN4CYP2D6
SCHEMBL13946506 0.75 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL13946510 0.75 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
Phenylethylmalonamide SCHEMBL341785 0.75 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL528412 0.74 KMT2A (0.55) MAPTKMT2ACYP2C19HIF1AHTT

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 MAPT 1533/4885KMT2A 58/4885CYP2C19 782/4885

“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.