Alcohol

Alcohol

SCHEMBL4097978

CCO.O=[N+]([O-])c1ccc(CC(O)COCC2OCCO2)cc1

nearest known ligand 0.40

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
DRD4 P21917 2/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.35
KCNJ1 P48048 2/20 0.35
KCNH2 Q12809 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9906223 0.95 SMN1; SMN2 (0.40) ALDH1A1DRD4GAASMN1; SMN2TSHR
SCHEMBL19157365 0.80 ADRB2 (0.39) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL9906222 0.76 TSHR (0.50) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL4097981 0.76 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL6455028 0.72 TSHR (0.47) ALDH1A1SMN1; SMN2TSHREPHX1LMNA
SCHEMBL10621456 0.72 LMNA (0.50) ALDH1A1SMN1; SMN2TSHREPHX1LMNA
SCHEMBL28629837 0.71 TSHR (0.58) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL16367382 0.70 POLB (0.48) ALDH1A1GAATSHRLMNAKCNJ1
SCHEMBL8543345 0.69 TSHR (0.50) ALDH1A1SMN1; SMN2TSHRLMNAKDM4E
Alcohol SCHEMBL4094172 0.69 EPHX1 (0.37) DRD4SMN1; SMN2TSHREPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
EP-2004642-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (Canada) Inc. (CA) 2008-12-24 EP disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ ALDH1A1 2764/4885DRD4 2891/4885GAA 49/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 ALDH1A1 2824/4885DRD4 2913/4885GAA 72/4885

“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.