SCHEMBL6884063

SCHEMBL6884063

CCN(CCC(C)C)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 5/20 0.47
ALDH1A1 P00352 7/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ESRRB O95718 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
PSMD14 O00487 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6883532 0.90 OPRM1 (0.41) ESRRGESR1KDM4EOPRM1OPRD1
SCHEMBL6880617 0.87 ESRRG (0.47) ESRRGMAPTLMNACYP3A4TDP1
SCHEMBL6883382 0.85 ESRRG (0.59) ESRRGALDH1A1MAPTGAALMNA
SCHEMBL7545289 0.84 NR1H2 (0.47) ESRRGALDH1A1GAALMNAPOLB
SCHEMBL2417791 0.81 TSHR (0.52) ALDH1A1MAPTGAACYP3A4TSHR
SCHEMBL6880660 0.80 ESRRG (0.57) ESRRGALDH1A1MAPTGAALMNA
SCHEMBL7072231 0.80 ALDH1A1 (0.69) ALDH1A1GAALMNACYP3A4TSHR
SCHEMBL387884 0.80 ALDH1A1 (0.58) ESRRGALDH1A1MAPTGAALMNA
SCHEMBL3116214 0.78 ALDH1A1 (0.37) ESRRGALDH1A1MAPTGAAPOLB
SCHEMBL6657111 0.78 ALDH1A1 (0.37) ESRRGALDH1A1MAPTGAAPOLB

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 19 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 claimed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP claimed
CN-1197062-A Production of keto acids CIBA SC HOLDING AG (CH) 1998-10-28 CN claimed
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
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO 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
EP-0411817-A2 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-02-06 EP 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 ESRRG 3571/4885ALDH1A1 1103/4885MAPT 2856/4885

“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.