Sugi Predict

Sugi Predict / Compounds / SCHEMBL6182047

SCHEMBL6182047

SCHEMBL6182047

CC(CCCO)(CCCC(O)CCCC(C)(CCC(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ KIF11 P52732 3/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34

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
SCHEMBL12092679 0.97 CYP2C19 (0.44) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL19678185 0.96 ACACB (0.44) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL6180011 0.94 CYP2C19 (0.51) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL12092671 0.91 CYP2C19 (0.49) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL6195799 0.91 RIPK1 (0.43) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL19678195 0.90 ACACB (0.49) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL12092681 0.88 RIPK1 (0.41) CYP2C19HIF1AALDH1A1CYP1A2CYP2D6
SCHEMBL6182220 0.88 HIF1A (0.51) CYP2C19HIF1AALDH1A1ESR1CYP3A4
SCHEMBL19678191 0.87 ACACB (0.44) CYP2C19HIF1ACYP1A2CYP2D6RIPK1
SCHEMBL3286804 0.85 CYP2C19 (0.49) CYP2C19HIF1AALDH1A1ESR1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624152-B2 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2017-04-18 — — US disclosed
US-20150344388-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 — — US disclosed
US-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2011-01-06 — — US disclosed
EP-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 — — EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 — — WO 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-20150344388-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 CYP2C19 1008/4885HIF1A 804/4885ALDH1A1 1480/4885
US-20110003860-A1 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES NR1H3, CYP27A1, NR1H2 CYP2C19 1008/4885HIF1A 804/4885ALDH1A1 1480/4885

“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.