Alcohol

Alcohol

SCHEMBL4169316

CCO.Cc1ccc(C)c(C(O)C(C)C)c1

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 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.37
TRPA1 O75762 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
PDE2A O00408 1/20 0.35
HTT P42858 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4169342 0.92 LMNA (0.42) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL4161041 0.92 LMNA (0.42) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL4178220 0.92 LMNA (0.42) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL4169320 0.81 LMNA (0.37) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL6055257 0.80 TRPA1 (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL7783897 0.77 ADRA1A (0.42) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL5057097 0.77 ADRA1A (0.42) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL9631351 0.76 TDP1 (0.44) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL13265142 0.76 LMNA (0.45) POLBLMNATRPA1CHRM1SLC6A2
SCHEMBL3066780 0.76 LMNA (0.45) POLBLMNATRPA1CHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163601-A1 (R)-2-METHYL-(2,5-DIMETHYLPHENYL)PROPANOL AND (S)-(2-METHYL-2,5-DIMETHYLPHENYL)PROPANOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-25 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 (1 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-20090163601-A1 (R)-2-METHYL-(2,5-DIMETHYLPHENYL)PROPANOL AND (S)-(2-METHYL-2,5-DIMETHYLPHENYL)PROPANOL ADRB2, PNMT, DRD4 POLB 264/4885LMNA 4112/4885TRPA1 3741/4885

“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.