Sugi Predict

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Alcohol

Alcohol

SCHEMBL22160482

CCC(=O)OCc1c(F)c(F)c(COC)c(F)c1F.CCO

nearest known ligand 0.37

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
▸ MMP1 known ✓ P03956 1/20 0.33
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ WRN Q14191 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22160485 0.96 CYP1A2 (0.36) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL22160477 0.89 ALDH1A1 (0.39) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL14462589 0.87 MMP1 (0.40) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
Alcohol SCHEMBL22129229 0.84 CA2 (0.39) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL27815858 0.82 ALDH1A1 (0.39) ALDH1A1MMP1MMP2MMP9MMP12
SCHEMBL27275391 0.79 DGKA (0.42) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL1785282 0.77 CA2 (0.42) CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL22129223 0.77 MMP1 (0.36) ALDH1A1MMP1MMP2MMP9MMP12
Propionic Acid SCHEMBL22160486 0.76 FFAR3 (0.37) GCGR
SCHEMBL27275392 0.74 GCGR (0.32) MMP1MMP2MMP9MMP12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745334-B2 Method for synthesizing 2,3,5,6-tetrafluoro-4-methoxymethyl benzyl alcohol ZHEJIANG ZHONGXIN FLUORIDE MAT CO LTD (CN) 2020-08-18 — — US disclosed
US-20200207693-A1 METHOD FOR SYNTHESIZING 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL ZHEJIANG ZHONGXIN FLUORIDE MAT CO LTD (CN) 2020-07-02 — — 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 (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-10745334-B2 Method for synthesizing 2,3,5,6-tetrafluoro-4-methoxymethyl benzyl alcohol TET2, TH, ALKBH2 MMP1 3686/4885CYP1A2 243/4885CYP2C19 430/4885
US-20200207693-A1 METHOD FOR SYNTHESIZING 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL TH, ALKBH2, ALKBH3 MMP1 3587/4885CYP1A2 276/4885CYP2C19 493/4885

“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.