1-Hydroxy-3-Methoxybenzene

1-Hydroxy-3-Methoxybenzene

SCHEMBL7085846

COc1cccc([O-])c1.COc1cccc([O-])c1.COc1cccc([O-])c1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Al+3]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ENPP2 Q13822 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
NR1H2 P55055 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
STS P08842 1/20 0.39
PARP1 P09874 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
1-Hydroxy-3-Methoxybenzene SCHEMBL7085847 0.89 KCNH2 (0.49) CES2CES1ENPP2ABCC9ABCC8
Trifluoromethanesulfonic Acid SCHEMBL7089666 0.83 ALDH1A1 (0.39) PKMCA1CA2PTGS1
Trifluoromethanesulfonic Acid SCHEMBL3524850 0.81 NPC1 (0.51) CES2CES1ENPP2RORARORC
1-Hydroxy-3-Methoxybenzene SCHEMBL28389126 0.81 ESR1 (0.53) CES2CES1ABCC9ABCC8KCNJ11
Trifluoromethanesulfonic Acid SCHEMBL3354312 0.79 CES2 (0.46) CES2CES1RORARORCNR1H2
Anisole SCHEMBL4551224 0.78 CA4 (0.56) CES2CES1PKMCA1CA2
1-Hydroxy-3-Methoxybenzene SCHEMBL3288076 0.77 ACHE (0.54) CES2CES1ENPP2PARP1CA1
1-Hydroxy-3-Methoxybenzene SCHEMBL6064728 0.77 ACHE (0.54) CES2CES1ENPP2PARP1CA1
1-Hydroxy-3-Methoxybenzene SCHEMBL3287924 0.77 ACHE (0.54) CES2CES1ENPP2PARP1CA1
1-Hydroxy-3-Methoxybenzene SCHEMBL6904887 0.77 ACHE (0.54) CES2CES1ENPP2PARP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624321-B2 Metathesis ring-opening polymerization of cyclic ethers in the presence of catalysts such as aluminum bis(trifluoromethane-sulfonate) phenolate BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
US-20030097026-A1 Process for the preparation of polyether polyols DENNINGER UWE (DE) 2003-05-22 US disclosed
US-6492565-B2 USING ALKYLENE OXIDE IN PRESENCE OF LEWIS ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20010053866-A1 Process for the preparation of polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 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-20030097026-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 CES2 826/4885CES1 1554/4885ENPP2 1642/4885
US-20010053866-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 CES2 826/4885CES1 1554/4885ENPP2 1642/4885

“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.