SCHEMBL6985548

SCHEMBL6985548

CCOc1c(C)ccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
SCN5A Q14524 1/20 0.40
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 5/20 0.37
GRM5 P41594 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN4A P35499 2/20 0.33

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
SCHEMBL10434028 0.87 NQO1 (0.48) NQO1SCN5AALDH1A1KDM4EGRM5
SCHEMBL12180442 0.84 ALDH1A1 (0.45) NQO1SCN5AALDH1A1HTTKDM4E
SCHEMBL23361704 0.84 ALDH1A1 (0.49) NQO1ALDH1A1HTTKDM4EHPGD
SCHEMBL16372678 0.82 MEN1 (0.42) NQO1SCN5AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2117233 0.82 NQO1 (0.36) NQO1ALDH1A1KDM4EGRM5HPGD
SCHEMBL11062080 0.82 SCN5A (0.43) NQO1SCN5AALDH1A1KDM4EHPGD
SCHEMBL25344472 0.82 NQO1 (0.36) NQO1ALDH1A1SMN1; SMN2KDM4EGRM5
SCHEMBL27514230 0.82 ALDH1A1 (0.42) NQO1SCN5AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14430044 0.81 ALDH1A1 (0.42) SCN5AALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL11215025 0.81 ALDH1A1 (0.40) NQO1SCN5AALDH1A1KDM4EGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021122437-A1 FORMATION OF 2,3,5-TRIMETHYLHYDROQUINONE FROM 2,3,6-TRIMETHYLPHENOL DSM IP ASSETS B.V. (NL) 2021-06-24 WO disclosed
US-20180110225-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
CN-101170985-A Hardenable antimicrobial dental compositions and methods 3M INNOVATIVE PROPERTIES CO (US) 2008-04-30 CN disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
US-6350759-B1 ANTIOXIDATIVE AGENTS FOR OXIDATION STRESS, ESPECIALLY AT THE CEREBRAL LEVEL; ADIR ET COMPAGNIE (FR) 2002-02-26 US disclosed
EP-0995743-A1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans ADIR ET COMPAGNIE (FR) 2000-04-26 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 (4 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 NQO1 1047/4885SCN5A 2181/4885ALDH1A1 1966/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 NQO1 1047/4885SCN5A 2181/4885ALDH1A1 1966/4885
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 NQO1 3263/4885SCN5A 735/4885ALDH1A1 2059/4885
US-20180110225-A1 HERBICIDAL COMPOUNDS DDT, HPD, DDC NQO1 119/4885SCN5A 2754/4885ALDH1A1 143/4885

“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.