Sugi Predict

Sugi Predict / Compounds / SCHEMBL8742181

SCHEMBL8742181

SCHEMBL8742181

COC(C)(C)CCC(=O)Cc1ccc(CC(=O)CCC(C)(C)C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 5/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RORC P51449 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
SCHEMBL3286475 0.89 TDP1 (0.42) VNN1MAPTSMN1; SMN2LMNATDP1
SCHEMBL8742901 0.82 ALDH1A1 (0.30) TDP1ALDH1A1TSHR
SCHEMBL10259387 0.82 VNN1 (0.41) VNN1MAPTSMN1; SMN2LMNATDP1
SCHEMBL8742311 0.80 ALDH1A1 (0.43) MAPTLMNATDP1L3MBTL1ALDH1A1
SCHEMBL8742355 0.79 ALDH1A1 (0.31) LMNATDP1ALDH1A1CYP3A4TSHR
SCHEMBL7107436 0.75 TDP1 (0.39) SMN1; SMN2LMNATDP1L3MBTL1ALDH1A1
SCHEMBL8742190 0.72 TDP1 (0.36) VNN1SMN1; SMN2TDP1L3MBTL1CYP1A2
SCHEMBL5362490 0.72 S1PR2 (0.38) VNN1MAPTSMN1; SMN2LMNATDP1
SCHEMBL8744283 0.71 ALDH1A1 (0.33) LMNATDP1ALDH1A1CYP3A4
SCHEMBL3280890 0.71 VNN1 (0.42) VNN1MAPTSMN1; SMN2LMNATDP1

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 VNN1 4430/4885MAPT 368/4885SMN1; SMN2 3229/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 VNN1 4359/4885MAPT 391/4885SMN1; SMN2 2984/4885

“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.