SCHEMBL6883380

SCHEMBL6883380

CCN(CC(C)C)c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
AOC3 Q16853 2/20 0.40
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ESRRG P62508 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ELANE P08246 1/20 0.33
HTR1A P08908 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL6880366 0.90 AOC3 (0.43) TSHRAOC3ALDH1A1KMT2AKDM4E
SCHEMBL6881299 0.86 HTR1A (0.41) TSHRAOC3ALDH1A1KMT2AKDM4E
SCHEMBL6884060 0.86 TSHR (0.39) TSHRAOC3ALDH1A1KMT2AKDM4E
SCHEMBL10333062 0.84 ALDH1A1 (0.42) TSHRALDH1A1KMT2AKDM4EMAPT
SCHEMBL387883 0.84 ALDH1A1 (0.42) TSHRALDH1A1KMT2AKDM4EMAPT
SCHEMBL6884501 0.83 LMNA (0.41) TSHRAOC3ALDH1A1KMT2AKDM4E
SCHEMBL29085125 0.80 CA1 (0.45) AOC3TDP1CA2CA1
SCHEMBL6883529 0.79 OPRM1 (0.40) TSHRAOC3ALDH1A1KMT2AKDM4E
SCHEMBL7125671 0.78 TAAR1 (0.37) TSHRAOC3KMT2AKDM4EMAPT
SCHEMBL6880613 0.77 HTR1A (0.40) TSHRAOC3GABRA1GABRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100357258-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-12-26 CN disclosed
CN-1301962-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-02-28 CN disclosed
CN-1575274-A Production of keto acids CIBA SC HOLDING AG (CH) 2005-02-02 CN disclosed
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
CN-1197062-A Production of keto acids CIBA SC HOLDING AG (CH) 1998-10-28 CN disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
EP-0427572-B1 Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols SUMITOMO CHEMICAL CO (JP) 1994-04-27 EP disclosed
EP-0411817-B1 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL CO (JP) 1994-04-06 EP disclosed
US-5276193-A Reductive alkylation, addition of carboxylic acid to prevent by-product formation SUMITOMO CHEMICAL CO., LTD. (JP) 1994-01-04 US disclosed
US-5202485-A Catalytic reductive alkylation of aminophenol using aldehyde or ketone SUMITOMO CHEMICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0427572-A1 Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-15 EP disclosed
US-4665199-A CHROMOGENS FOR HEAT-SENSITIVE OR PRESSURE-SENSITIVE RECORDING SHIN NISSO KAKO CO., LTD. (JP) 1987-05-12 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 TSHR 3202/4885AOC3 1383/4885ALDH1A1 1103/4885

“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.