SCHEMBL6878804

SCHEMBL6878804

CC(C)(C)c1ccc(-c2ccccc2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ACMSD Q8TDX5 3/20 0.48
HNF4A P41235 2/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP1A2 P05177 2/20 0.48
ATP2A2 P16615 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATP2A3 Q93084 1/20 0.48
ESR2 Q92731 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL21035191 0.89 ALDH1A1 (0.59) ALOX5ALDH1A1TSHRTDP1KDM4E
SCHEMBL3565632 0.84 ALOX5 (0.57) ALOX5ALDH1A1TSHRTDP1ACMSD
SCHEMBL5193876 0.84 ALDH1A1 (0.48) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL27991629 0.81 RXRA (0.42) ALOX5ALDH1A1TSHRTDP1KDM4E
SCHEMBL28521094 0.81 RARB (0.54) ALOX5ALDH1A1TSHRTDP1ACMSD
SCHEMBL7077598 0.80 ALDH1A1 (0.48) ALOX5ALDH1A1TSHRTDP1KDM4E
SCHEMBL6881273 0.79 ALDH1A1 (0.43) ALOX5ALDH1A1TSHRTDP1KDM4E
SCHEMBL12733344 0.79 KIF11 (0.46) ALDH1A1TSHRTDP1MAPTAPP
SCHEMBL2291021 0.78 CA2 (0.48) ALOX5ALDH1A1TSHRTDP1ACMSD
SCHEMBL13840641 0.78 CA2 (0.71) ALOX5ALDH1A1TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852486-A2 ANTIPLAQUE ORAL COMPOSITION Colgate-Palmolive Company (US) 1998-07-15 EP claimed
US-5723500-A WATER INSOLUBLE, NONCATIONIC, ANTIBACTERIAL, STERICALLY HINDERED PHENOL; MOUTHWASHES, DENTIFRICES COLGATE-PALMOLIVE COMPANY (US) 1998-03-03 US claimed
WO-1997010800-A2 ANTIPLAQUE ORAL COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 1997-03-27 WO claimed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-6753451-B2 REACTING KETO COMPOUND, 1,3-DIOXOLANE, AND AN AMMONIUM HALIDE TO YIELD A B-AMINOKETONE; REACTING WITH N-ACETYLMETHYLPYRIDINIUM HALIDE; FRIEDEL-CRAFTS ALKYLATION CIBA SPECIALTY CHEMICALS CORPORATION 2004-06-22 US disclosed
US-20030191349-A1 Process for the preparation of phenylphenol compounds CIBA SPECIALTY CHEMICALS CORP. 2003-10-09 US disclosed
EP-1313689-A1 PROCESS FOR THE PREPARATION OF PHENYLPHENOL COMPOUNDS Ciba SC Holding AG (CH) 2003-05-28 EP disclosed
WO-2002018311-A1 PROCESS FOR THE PREPARATION OF PHENYLPHENOL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-07 WO disclosed
EP-0852486-A2 ANTIPLAQUE ORAL COMPOSITION Colgate-Palmolive Company (US) 1998-07-15 EP disclosed
US-5723500-A WATER INSOLUBLE, NONCATIONIC, ANTIBACTERIAL, STERICALLY HINDERED PHENOL; MOUTHWASHES, DENTIFRICES COLGATE-PALMOLIVE COMPANY (US) 1998-03-03 US disclosed
WO-1997010800-A2 ANTIPLAQUE ORAL COMPOSITION COLGATE-PALMOLIVE COMPANY (US) 1997-03-27 WO 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-20030191349-A1 Process for the preparation of phenylphenol compounds PAH, CYP1A1, CYP2D6 ALOX5 1004/4885ALDH1A1 212/4885TSHR 1327/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ALOX5 3048/4885ALDH1A1 2140/4885TSHR 2995/4885

“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.