Alcohol

Alcohol

SCHEMBL22160476

CCC(=O)OC(=O)c1c(F)c(F)c(C(=O)OC(=O)CC)c(F)c1F.CCO

nearest known ligand 0.42

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
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ WRN Q14191 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PRKCZ Q05513 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL9031488 0.79 ALDH1A1 (0.54) TSHRMAPK1ESR1PKMSMN1; SMN2
Alcohol SCHEMBL28160506 0.74 SMN1; SMN2 (0.50) TSHRMAPK1ESR1SMN1; SMN2RECQL
SCHEMBL9853251 0.74 ALDH1A1 (0.47) TSHRMAPK1ESR1ALDH1A1
Alcohol SCHEMBL2831424 0.72 ALDH1A1 (0.53) TSHRESR1SMN1; SMN2RECQLTDP1
SCHEMBL6888914 0.72 TSHR (0.45) TSHRMAPK1ESR1RECQLTDP1
SCHEMBL5560398 0.71 KMT2A (0.50) MAPK1ESR1SMN1; SMN2RECQLHTT
Alcohol SCHEMBL27672609 0.70 ALDH1A1 (0.50) TSHRESR1SMN1; SMN2RECQLTDP1
SCHEMBL522227 0.70 ESR1 (0.55) TSHRMAPK1ESR1SMN1; SMN2RECQL
SCHEMBL10586717 0.70 ALDH1A1 (0.47) MAPK1ESR1PKMSMN1; SMN2RECQL
Alcohol SCHEMBL29191762 0.69 SMN1; SMN2 (0.43) TSHRMAPK1ESR1PKMSMN1; 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 TSHR 1978/4885MAPK1 1853/4885ESR1 3267/4885
US-20200207693-A1 METHOD FOR SYNTHESIZING 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL TH, ALKBH2, ALKBH3 TSHR 1585/4885MAPK1 2141/4885ESR1 3209/4885

“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.

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