SCHEMBL6881561

SCHEMBL6881561

CC(C)(C)c1cc(C(C)(C)C)c(-c2ccccc2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
ALOX5 P09917 1/20 0.44
NR1I2 O75469 1/20 0.44
CYP2C9 P11712 1/20 0.44
MIF P14174 1/20 0.44
TYR P14679 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL29022932 0.92 ALDH1A1 (0.58) BACE1ALDH1A1ALOX15SMN1; SMN2KDM4E
SCHEMBL7761038 0.90 BACE1 (0.64) BACE1ALDH1A1ALOX15SMN1; SMN2KDM4E
SCHEMBL6879754 0.87 BACE1 (0.46) BACE1ALDH1A1ALOX15SMN1; SMN2KDM4E
SCHEMBL6878094 0.80 CNR1 (0.47) BACE1CNR1CNR2
SCHEMBL23811954 0.77 CYP2A6 (0.43) BACE1ALDH1A1TSHRTDP1LMNA
SCHEMBL30753562 0.77 ALOX5 (0.59) BACE1ALDH1A1ALOX15TSHRTDP1
SCHEMBL28526907 0.77 ALOX5 (0.59) BACE1ALDH1A1ALOX15TSHRTDP1
SCHEMBL26151067 0.76 PTGS2 (0.46) BACE1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL29072289 0.76 ESR2 (0.39) BACE1ALDH1A1SMN1; SMN2KDM4ECYP1A2
Phenol SCHEMBL11597348 0.75 ALDH1A1 (0.68) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200025-A Antiplaque oral composition COLGATE PALMOLIVE CO (US) 1998-11-25 CN claimed
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-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
CN-1088579-C Antiplaque oral composition COLGATE PALMOLIVE CO (US) 2002-08-07 CN disclosed
WO-2002018311-A1 PROCESS FOR THE PREPARATION OF PHENYLPHENOL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-07 WO disclosed
CN-1200025-A Antiplaque oral composition COLGATE PALMOLIVE CO (US) 1998-11-25 CN 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 (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-20030191349-A1 Process for the preparation of phenylphenol compounds PAH, CYP1A1, CYP2D6 BACE1 4644/4885ALDH1A1 212/4885ALOX15 1201/4885

“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.