Metacresol

Metacresol

SCHEMBL4887412

COC.Cc1cccc(O)c1

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.85
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 5/20 0.52
CA12 O43570 2/20 0.52
CA2 P00918 2/20 0.52
CYP3A4 P08684 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
LMNA P02545 1/20 0.52
CA5A P35218 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
RAPGEF4 Q8WZA2 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
IDO1 P14902 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.42

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
Metacresol SCHEMBL29352064 0.92
Metacresol SCHEMBL10736 0.92
Metacresol SCHEMBL2314567 0.92 ACHE (1.00) ACHECYP1A2CYP2C19ALDH1A1CA12
Metacresol SCHEMBL11437600 0.92 ACHE (1.00) ACHECYP1A2CYP2C19ALDH1A1CA12
Metacresol SCHEMBL9774388 0.92 ACHE (1.00) ACHECYP1A2CYP2C19ALDH1A1CA12
Metacresol SCHEMBL5533065 0.90
Metacresol SCHEMBL10008998 0.90 ACHE (0.94) ACHECYP1A2CYP2C19ALDH1A1CA12
Metacresol SCHEMBL7177742 0.90
Metacresol SCHEMBL6234380 0.90 ACHE (0.94) ACHECYP1A2CYP2C19ALDH1A1CA12
Metacresol SCHEMBL7177747 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558149-B1 Epoxy resin and epoxy resin composition SHELL INT RESEARCH (NL) 1997-05-02 EP claimed
EP-0558149-A1 Epoxy resin and epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-09-01 EP claimed
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 2008-06-26 US disclosed
EP-1817318-A1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS Nippon Shokubai Co.,Ltd. (JP) 2007-08-15 EP disclosed
WO-2006080538-A1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-03 WO disclosed
US-5679856-A OXYBROMINATION OF A PHENOL ETHER COMPOUND USING ELEMENTAL BROMINE IN THE PRESENCE OF HYDROGEN PEROXIDE AND A CATALYST; REACTING WITH FORMANILIDE CIBA-GEIGY CORPORATION (US) 1997-10-21 US disclosed
EP-0558149-B1 Epoxy resin and epoxy resin composition SHELL INT RESEARCH (NL) 1997-05-02 EP disclosed
WO-1995019948-A1 NOVEL ALKYL TETRALIN ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 WO disclosed
US-5401720-A Musk perfume UNION CAMP CORPORATION (US) 1995-03-28 US disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
EP-0558149-A1 Epoxy resin and epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-09-01 EP disclosed
US-4146582-A OXIDATION WITH A PERSULFATE AND A METALLIC SALT AS CATALYST BRICHIMA S.P.A. (IT) 1979-03-27 US disclosed
US-4111966-A DYES FOR POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-09-05 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 ACHE 4707/4885CYP1A2 909/4885CYP2C19 2009/4885

“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.