SCHEMBL8744710

SCHEMBL8744710

COC(C)(CCCCCC(=O)CCCCCC(C)(C=O)c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC6 Q9UBN7 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CES1 P23141 1/20 0.33
GAA P10253 1/20 0.32
KCNN4 O15554 1/20 0.32

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
SCHEMBL3286655 0.89 HDAC6 (0.39) ALDH1A1LMNAHDAC6KMT2AHDAC3
SCHEMBL12092678 0.84 ACACB (0.38) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9449951 0.81 HDAC3 (0.45) ALDH1A1SMN1; SMN2HDAC6HDAC3HDAC4
SCHEMBL9449505 0.81 HDAC3 (0.45) ALDH1A1SMN1; SMN2HDAC6HDAC3HDAC4
SCHEMBL10257508 0.81 CYP2C19 (0.39) LMNAHDAC6HDAC3HDAC4HDAC1
SCHEMBL10258637 0.81 CES1 (0.35) KDM4EALDH1A1LMNASMN1; SMN2HDAC6
Ammonia Solution, Strong SCHEMBL9395544 0.80 HDAC3 (0.44) ALDH1A1SMN1; SMN2HDAC6HDAC3HDAC4
SCHEMBL10258916 0.80 CYP2C19 (0.40) KDM4EALDH1A1LMNASMN1; SMN2HDAC6
SCHEMBL10258992 0.76 CES1 (0.36) KDM4EALDH1A1LMNASMN1; SMN2HDAC6
SCHEMBL10257235 0.75 CYP2C19 (0.41) KDM4EALDH1A1LMNASMN1; SMN2HDAC6

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-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 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 (2 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-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP KDM4E 1365/4885ALDH1A1 2044/4885LMNA 2381/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 KDM4E 1379/4885ALDH1A1 2141/4885LMNA 2334/4885

“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.