Alcohol

Alcohol

SCHEMBL6836623

CCO.COc1ccccc1C(=O)NC(C)C

nearest known ligand 0.68

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 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
HPGD P15428 4/20 0.68
ALDH1A1 P00352 2/20 0.68
CTSD P07339 1/20 0.65
STAT3 P40763 1/20 0.57
TP53 P04637 2/20 0.56
GLA P06280 1/20 0.56
LMNA P02545 1/20 0.56
KCNA3 P22001 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL18893131 0.95 L3MBTL1 (0.74) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL8029750 0.85 HPGD (0.69) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL24568217 0.83 HPGD (0.68) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL24801412 0.83 HPGD (0.68) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL19531825 0.83 HCRTR1 (0.69) L3MBTL1HPGDALDH1A1RAB9AKCNK3
Alcohol SCHEMBL6834845 0.83 CTSD (0.69) HPGDCTSDSTAT3TP53GLA
SCHEMBL10330508 0.83 HPGD (0.62) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL2251629 0.82 HPGD (0.70) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL2251625 0.82 HPGD (0.70) L3MBTL1HPGDALDH1A1CTSDSTAT3
SCHEMBL2792267 0.82 HPGD (0.70) L3MBTL1HPGDALDH1A1CTSDSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6121437-A SYNTHESIS OF OLIGONUCLEOTIDES USING OLIGONUCLEOTIDES OR NUCLEOTIDES WITH PROTECTED INTERNUCLEOSIDIC PHOSPHORUS FUNCTIONALITIES WHICH CAN BE REMOVED UNDER MILD CONDITIONS AND PRODUCE NONTOXIC BY-PRODUCTS ISIS PHARMACEUTICALS, INC. (US) 2000-09-19 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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 L3MBTL1 1281/4885HPGD 3873/4885ALDH1A1 4612/4885

“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.