SCHEMBL6883532

SCHEMBL6883532

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
ESRRG P62508 2/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
SLC6A2 P23975 1/20 0.36
APP P05067 1/20 0.35
CACNA1B Q00975 1/20 0.34

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
SCHEMBL6880617 0.93 ESRRG (0.47) OPRM1OPRD1OPRK1ESRRGESR1
SCHEMBL6884063 0.90 ESRRG (0.47) OPRM1OPRD1OPRK1ESRRGESR1
SCHEMBL7545289 0.89 NR1H2 (0.47) OPRM1OPRD1OPRK1ESRRGESR1
SCHEMBL3116214 0.83 ALDH1A1 (0.37) OPRM1OPRD1OPRK1ESRRGKDM4E
SCHEMBL5930732 0.83 ALDH1A1 (0.37) OPRM1OPRD1OPRK1ESRRGKDM4E
SCHEMBL6657111 0.83 ALDH1A1 (0.37) OPRM1OPRD1OPRK1ESRRGKDM4E
SCHEMBL6055459 0.83 ESRRG (0.49) OPRM1ESRRGESR1ESR2PDCD1
SCHEMBL7543628 0.82 KDM4E (0.48) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL17385599 0.79 KDM4E (0.42) OPRM1OPRD1OPRK1ESR1KDM4E
SCHEMBL6881300 0.79 ESRRG (0.47) OPRM1ESRRGESR1ESR2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP claimed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US claimed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP claimed
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
CN-1084327-C Method for preparing amino-phenol CIBA SC HOLDING AG (CH) 2002-05-08 CN disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
CN-1178785-A Method for preparing amino-phenol CIBA GEIGY AG (CH) 1998-04-15 CN 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 OPRM1 2054/4885OPRD1 1625/4885OPRK1 916/4885

“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.