SCHEMBL6879754

SCHEMBL6879754

CCC(C)(C)c1cc(C(C)(C)C)c(O)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 4/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ATP2A2 P16615 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
ALOX5 P09917 1/20 0.37
NR1I2 O75469 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL6881561 0.87 BACE1 (0.56) BACE1ALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL6878094 0.83 CNR1 (0.47) BACE1
SCHEMBL7761038 0.81 BACE1 (0.64) BACE1ALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL8926933 0.81 BACE1 (0.50) BACE1ALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL29022932 0.80 ALDH1A1 (0.58) BACE1ALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL15368849 0.76 ESR1 (0.42) ALDH1A1ALOX15CYP2C9HSD17B10LMNA
SCHEMBL9354769 0.75 ALOX15 (0.68) ALDH1A1ALOX15CYP1A2KDM4EMAPT
SCHEMBL9292312 0.75 ALOX15 (0.68) ALDH1A1ALOX15CYP1A2KDM4EMAPT
SCHEMBL16237184 0.73 ALOX15 (0.52) ALDH1A1ALOX15CYP1A2KDM4EMAPT
SCHEMBL11779884 0.72 ALOX5 (0.50) BACE1ALDH1A1ALOX15CYP1A2KDM4E

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 8 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-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-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.