SCHEMBL8962018

SCHEMBL8962018

CCOc1ccc(C(C)(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 3/20 0.47
ESR1 P03372 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
AHR P35869 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.44

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
SCHEMBL25956024 1.00 NQO1 (0.56) NQO1MAPTALDH1A1CYP1A2KDM4E
SCHEMBL3035998 0.92 NQO1 (0.67) NQO1MAPTALDH1A1CYP1A2NPC1
SCHEMBL13382488 0.87 LTA4H (0.46) NQO1MAPTALDH1A1CYP1A2KDM4E
SCHEMBL13209791 0.86 NQO1 (0.58) NQO1MAPTALDH1A1CYP1A2NPC1
SCHEMBL83852 0.85 CA1 (0.61) MAPTALDH1A1CYP1A2KDM4ENPC1
SCHEMBL10112753 0.85 CA1 (0.61) MAPTALDH1A1CYP1A2KDM4ENPC1
1-Methoxy-4-Ethoxybenzene SCHEMBL354674 0.85 NQO1 (0.78) NQO1MAPTALDH1A1CYP1A2KDM4E
SCHEMBL25986528 0.85 CA1 (0.61) MAPTALDH1A1CYP1A2KDM4ENPC1
SCHEMBL23512941 0.85 NQO1 (0.52) NQO1MAPTALDH1A1CYP1A2KDM4E
SCHEMBL18387603 0.85 NQO1 (0.52) NQO1MAPTALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129965-A1 THERMOPLASTIC RESIN HAVING CARBONATE BOND Mitsubishi Chemical Corporation (JP) 2023-02-08 EP disclosed
EP-3236318-B1 TONER FOR ELECTROPHOTOGRAPHY KAO CORP (JP) 2019-09-18 EP disclosed
US-9856376-B2 Aromatic polyamide films for solvent resistant flexible substrates AKRON POLYMER SYSTEMS, INC. (US) 2018-01-02 US disclosed
US-9408840-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorder ARDELYX, INC. (US) 2016-08-09 US disclosed
US-20150376364-A1 HYDROPHILIC MEMBRANES AND METHOD OF PREPARATION THEREOF (IV) CYTIVA US LLC 2015-12-31 US disclosed
US-20150190389-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER ARDELYX, INC. (US) 2015-07-09 US disclosed
US-8969377-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2015-03-03 US disclosed
US-8852841-B2 Toner for electrostatic image development KAO CORPORATION (JP) 2014-10-07 US disclosed
US-20140107074-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-04-17 US disclosed
US-8309291-B2 Polyester for toner KAO CORPORATION (JP) 2012-11-13 US disclosed
US-8211827-B2 Dye receptor layer compositions KAO CORPORATION (JP) 2012-07-03 US disclosed
US-8187779-B2 Toner for electrostatic image development KAO CORPORATION (JP) 2012-05-29 US disclosed
US-20110253434-A1 EPOXY RESIN COMPOSITION, AND PREPREG AND PRINTED CIRCUIT BOARD USING THE SAME TAIWAN UNION TECHNOLOGY CORPORATION (TW) 2011-10-20 US disclosed
US-7691477-B2 Polyformals as a coextrusion protective layer on polycarbonate BAYER MATERIALSCIENCE AG (DE) 2010-04-06 US disclosed
US-20090143526-A1 COATING COMPOSITION AND COATED ARTICLE KANSAI PAINT CO., LTD. (JP) 2009-06-04 US disclosed
US-7208564-B2 Branched polyformals and copolyformals their preparation and use BAYER MATERIALSCIENCE AG (DE) 2007-04-24 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 (2 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-20150190389-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER SLC9A1, SLC9A2, SLC10A2 NQO1 2318/4885MAPT 4590/4885ALDH1A1 3416/4885
US-20140107074-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A2, SLC9A1, SLC9A2 NQO1 2093/4885MAPT 4756/4885ALDH1A1 3272/4885

“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.