SCHEMBL1151009

SCHEMBL1151009

O=C(Oc1ccccc1)C1(CCCCC(O)CCCCC2(C(=O)Oc3ccccc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.35
CYP2D6 P10635 3/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TRPA1 O75762 1/20 0.34
TSHR P16473 3/20 0.34
CYP3A4 P08684 4/20 0.33
USP2 O75604 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 3/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1106757 0.99 L3MBTL1 (0.38) ALDH1A1L3MBTL1POLBCYP2D6CYP4F2
SCHEMBL1106731 0.94 L3MBTL1 (0.38) ALDH1A1L3MBTL1POLBCYP2D6CYP4F2
SCHEMBL1106794 0.91 L3MBTL1 (0.34) ALDH1A1L3MBTL1POLBCYP2D6CYP4F2
SCHEMBL5902320 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1POLBMAPK1MAPT
SCHEMBL5903202 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBTRPA1MAPT
SCHEMBL14106381 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28232684 0.76 CETP (0.52) POLBCYP4F2CYP4A11MAPTPKM
SCHEMBL12138665 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBMAPTPKM
SCHEMBL17764138 0.75 CNR2 (0.41)
SCHEMBL1106765 0.75 ALDH1A1 (0.42) ALDH1A1L3MBTL1POLBMAPTPKM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP claimed
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2017-03-16 US disclosed
US-9452964-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2016-09-27 US disclosed
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP disclosed
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9006290-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-21 US disclosed
US-8623915-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-01-07 US disclosed
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2013-02-14 US disclosed
US-8309604-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2012-11-13 US disclosed
US-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT ESPERION THERAPEUTICS, INC. (US) 2012-02-09 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-8067466-B2 Cycloalkyl-hydroxyl compounds and compositions for cholesterol management ESPERION THERAPEUTICS, INC. (US) 2011-11-29 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids ESPERION THERAPEUTICS, INC. (US) 2008-10-09 US disclosed
US-7405226-B2 e.g. ethyl 11-[1-(t-butoxycarbonyl)cyclopropyl]-2,2-dimethyl-7-oxoundecanoate; peroxisome proliferator activated receptor antagonist; cholesterol reducing, anticarcinogenic, antiinflammatory agent; aging, Alzheimer's Disease, cardiovascular disease, diabetic retinopathy, dyslipidemia, insulin resistance PFIZER INC. (US) 2008-07-29 US disclosed
US-7405226-B2 e.g. ethyl 11-[1-(t-butoxycarbonyl)cyclopropyl]-2,2-dimethyl-7-oxoundecanoate; peroxisome proliferator activated receptor antagonist; cholesterol reducing, anticarcinogenic, antiinflammatory agent; aging, Alzheimer's Disease, cardiovascular disease, diabetic retinopathy, dyslipidemia, insulin resistance PFIZER INC. (US) 2008-07-29 US disclosed
US-7119221-B2 treating and preventing a variety of diseases and conditions such as aging, Alzheimer's Disease, cancer, cardiovascular disease, diabetic retinopathy, dyslipidemia, dyslipoproteinemia, hypertension, impotence, insulin resistance, peroxisome proliferator activated receptor associated disorders ESPERION THERAPEUTICS, INC. (US) 2006-10-10 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 (6 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-20120035141-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT PNLIP, NR1H3, NR1H2 ALDH1A1 1851/4885L3MBTL1 3579/4885POLB 2419/4885
US-20140235723-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ALDH1A1 2139/4885L3MBTL1 3518/4885POLB 2510/4885
US-20150344389-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ALDH1A1 2139/4885L3MBTL1 3518/4885POLB 2510/4885
US-20080249166-A1 Inhibiting hepatic fatty acid and sterol synthesis; use with statins; compounds such as cyclopropyl or cyclobutyl-functional hydroxy-functional alpha,gamma-alkanediacids PNLIP, NR1H3, NR1H2 ALDH1A1 914/4885L3MBTL1 3202/4885POLB 1748/4885
US-20130040916-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ALDH1A1 2139/4885L3MBTL1 3518/4885POLB 2510/4885
US-20170073286-A1 CYCLOALKYL-HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PNLIP, NR1H3, NR1H2 ALDH1A1 2139/4885L3MBTL1 3518/4885POLB 2510/4885

“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.