Alcohol

Alcohol

SCHEMBL6702863

CC(C)(C)OC(=O)C[C@H]1C[C@@H](CO)OC(C)(C)O1.CCO

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
NR1H2 P55055 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
SCHEMBL9453175 0.97 MIF (0.34) MIFNR1H2
SCHEMBL7720760 0.97 MIF (0.34) MIFNR1H2
SCHEMBL5728730 0.97 MIF (0.34) MIFNR1H2
SCHEMBL247199 0.97 MIF (0.34) MIFNR1H2
SCHEMBL6125270 0.88 MIF (0.34) MIF
SCHEMBL21097947 0.86 MIF (0.33) MIF
SCHEMBL31070837 0.86 MIF (0.33) MIFNR1H2
SCHEMBL4015355 0.86 MIF (0.33) MIFNR1H2
SCHEMBL15887303 0.86 MIF (0.33) MIF
SCHEMBL15887309 0.86 MIF (0.33) MIFNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812345-B2 FUSED PYRIDINE-BENZAZAPINE, BENZOXEPIN, OR BENZOTHIEPIN DERIVATIVES; HYPOCHOLESTEROLEMIC AND HYPOLIPIDEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-11-02 US disclosed
US-20040092573-A1 HMG-CoA reductase inhibitors and method ROBL JEFFREY A 2004-05-13 US disclosed
US-20040024216-A1 HMG-CoA reductase inhibitors and method ROBL JEFFREY A (US) 2004-02-05 US disclosed
US-6627636-B2 Benzo(3,4)pyrido(3,2-a)cycloctenes and benzo(3,4)pyrido-(3,2-a)oxocins, -thiocins or azocines; anticholesterol, antilipemic agents; lowering LDL cholesterol; increasing HDl cholesterol; hypertriglyceridemia and atherosclerosis BRISTOL-MYERS SQUIBB COMPANY 2003-09-30 US disclosed
US-6620821-B2 Tricyclic imine or amine oxime derivative; may be used in combination with one or more hypolipidemic agents or lipid-lowering agents or lipid agents or lipid modulating agents, and/or one or more other types of therapeutic agents BRISTOL-MYERS SQUIBB COMPANY 2003-09-16 US disclosed
US-20020094977-A1 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY 2002-07-18 US disclosed
US-20020061901-A1 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY 2002-05-23 US disclosed
US-20020028826-A1 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY 2002-03-07 US disclosed
US-20020013334-A1 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY 2002-01-31 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 (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-20040092573-A1 HMG-CoA reductase inhibitors and method HMGCR, LDLR, APOB MIF 3381/4885NR1H2 4/4885
US-20020061901-A1 HMG-CoA reductase inhibitors and method HMGCR, LDLR, NR1H2 MIF 3483/4885NR1H2 3/4885
US-20020028826-A1 HMG-CoA reductase inhibitors and method HMGCR, LDLR, NR1H2 MIF 3364/4885NR1H2 3/4885
US-20020094977-A1 HMG-CoA reductase inhibitors and method HMGCR, LDLR, NR1H2 MIF 3252/4885NR1H2 3/4885
US-20020013334-A1 HMG-CoA reductase inhibitors and method HMGCR, LDLR, APOB MIF 3622/4885NR1H2 6/4885
US-20040024216-A1 HMG-CoA reductase inhibitors and method HMGCR, LDLR, NR1H2 MIF 3264/4885NR1H2 3/4885

“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.