SCHEMBL6882170

SCHEMBL6882170

CCCN(c1ccc(C)cc1)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
ESR1 P03372 2/20 0.36
CYP2C19 P33261 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6875813 0.90 NR1H2 (0.38) KMT2APOLBHTR1AESR1CYP2C19
SCHEMBL6882135 0.88 HTR1A (0.43) HTR1AESR1RXRARXRBRXRG
SCHEMBL6873978 0.86 CYP2C19 (0.38) POLBHTR1ACYP2C19RXRARXRB
SCHEMBL6872336 0.83 ALDH1A1 (0.40) KMT2APOLBHTR1AESR1CYP2C19
SCHEMBL7815091 0.82 ALDH1A1 (0.43) KMT2APOLBHTR1AESR1CYP2C19
SCHEMBL6879399 0.79 ESR1 (0.47) HTR1AESR1ALDH1A1
SCHEMBL8045724 0.78 ALDH1A1 (0.39) KMT2APOLBCYP2C19MAPTHTT
SCHEMBL6883550 0.78 ESR1 (0.43) KMT2APOLBHTR1AESR1MAPT
SCHEMBL28138693 0.78 ALDH1A1 (0.46) KMT2APOLBCYP2C19RXRARXRB
SCHEMBL6882172 0.77 ACHE (0.52) KMT2APOLBHTR1AESR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO 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

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 KMT2A 552/4885POLB 2589/4885HTR1A 3805/4885

“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.