SCHEMBL7002552

SCHEMBL7002552

CCC(C)N(C)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.43
ESR1 P03372 7/20 0.43
SLC6A2 P23975 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
PGR P06401 2/20 0.43
CHRM2 P08172 2/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
AR P10275 2/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
CHRM1 P11229 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALOX15 P16050 2/20 0.43
DRD1 P21728 2/20 0.43
TBXA2R P21731 2/20 0.43
PTGS1 P23219 2/20 0.43
CYP2C19 P33261 2/20 0.43
ADRA1A P35348 2/20 0.43

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
SCHEMBL39602 0.89 ALDH1A1 (0.36) ESRRGCYP3A4ARALOX15TDP1
SCHEMBL6881640 0.82 ESRRG (0.59) ESRRGESR1SLC6A2LMNACYP1A2
SCHEMBL6055615 0.81 ESR1 (0.45) ESRRGESR1SLC6A2LMNACYP1A2
SCHEMBL20893275 0.79 CHRNB2 (0.41) SLC6A2ALOX15SLC6A3KDM4ETAAR1
SCHEMBL6996309 0.79 ESRRG (0.47) ESRRGESR1SLC6A2LMNACYP1A2
SCHEMBL95074 0.78 TSHR (0.42) SLC6A2LMNAADRA1ASLC6A3MEN1
SCHEMBL3721545 0.78 APP (0.45) ESR1SLC6A2LMNACYP3A4MAPT
SCHEMBL27461461 0.78 ESR1 (0.42) ESRRGESR1SLC6A2LMNACYP1A2
SCHEMBL28647276 0.77 ALDH1A1 (0.55) ESR1LMNACYP3A4DRD1OPRM1
SCHEMBL24974730 0.76 SLC2A1 (0.47) SLC6A2APPTAAR1NR1I2ALDH1A1

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-109134297-A One inter-species di alkylamino group phenol is continuously synthesizing to method 江苏迪安化工有限公司 2019-01-04 CN disclosed
CN-109134281-A Between di alkylamino group phenol synthetic method 浙江山峪科技股份有限公司 2019-01-04 CN disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
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-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
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-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
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
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

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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 ESRRG 977/4885ESR1 3261/4885SLC6A2 1634/4885

“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.