Sugi Predict

Sugi Predict / Compounds / SCHEMBL8744939

SCHEMBL8744939

SCHEMBL8744939

CC(CCCCCC(=O)CCCCCC(C)(CCC(=O)O)c1ccccc1)(CCOC=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PTGER4 P35408 2/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL12092676 0.87 ACACB (0.39) CYP2C19HIF1APTGER4PTGER3ESR1
SCHEMBL3278666 0.87 CYP2C19 (0.51) CYP2C19HIF1APTGER4PTGER3ESR1
SCHEMBL3280257 0.85 CYP2C19 (0.53) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL12092680 0.85 CYP2C19 (0.40) CYP2C19HIF1APTGER4PTGER3ESR1
SCHEMBL15456933 0.82 CYP2C19 (0.49) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL3280291 0.82 CYP2C19 (0.46) CYP2C19HIF1APTGER4PTGER3ESR1
SCHEMBL3279773 0.81 CYP2C19 (0.55) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL8744859 0.81 CYP2C19 (0.50) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL3278289 0.80 CYP2C19 (0.47) CYP2C19HIF1AESR1ALDH1A1CYP3A4
SCHEMBL8744487 0.78 TBXAS1 (0.41) ESR1ALDH1A1MAPTPPARAHDAC11

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 CYP2C19 431/4885HIF1A 776/4885PTGER4 962/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885PTGER4 1029/4885

“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.