SCHEMBL976330

SCHEMBL976330

COc1cc(C(=O)O)c(OC)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 4/20 0.57
ALOX15 P16050 1/20 0.55
CDC25B P30305 3/20 0.54
HSD17B10 Q99714 2/20 0.51
PDE10A Q9Y233 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.48
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
DHODH Q02127 1/20 0.47

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
SCHEMBL406268 0.86 HTT (0.49) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL7674128 0.86 CDC25B (0.54) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL10892729 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL8586325 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL3741758 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL18600627 0.83 CDC25B (0.58) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL669832 0.83 THRB (0.61) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL5963042 0.82 HMGCR (0.53) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL6987407 0.81 HSD17B10 (0.56) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8967049 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HPGDCDC25BHSD17B10

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
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP disclosed
US-20230086413-A1 PHOTORADICAL POLYMERIZABLE COMPOSITION AIR WATER PERFORMANCE CHEMICAL INC. (JP) 2023-03-23 US disclosed
CN-106146338-B Naphthaquinone derivative containing adamantyl, preparation method and application thereof 中国科学院上海药物研究所 2020-09-08 CN disclosed
US-9862691-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2018-01-09 US disclosed
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2016-10-27 US disclosed
US-9422253-B2 Cyclic triazo and diazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2016-08-23 US disclosed
EP-3002280-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2016-04-06 EP disclosed
EP-2229371-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-12-23 EP disclosed
US-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-06-05 US disclosed
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 US disclosed
CN-101918378-A Cyclic azide and sodium diazoxide channel blockers UNIV GREENWICH 2010-12-15 CN disclosed
US-5498628-A ANTIPSYCHOTIC, PSYCHOSTIMULATORY, ANTIAUTISTIC, ANTIDEPRESSANT AND HYPOTENSIVE AGENTS, PARKINSON'S DISEASE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-03-12 US disclosed
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP disclosed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 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 (3 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-20140155403-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A KDM4E 4414/4885ALDH1A1 1806/4885HPGD 1369/4885
US-20110009413-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS CACNA1E, SCN2B, SCN3A KDM4E 2563/4885ALDH1A1 3145/4885HPGD 2740/4885
US-20160311784-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS SCN1A, SCN1B, SCN3A KDM4E 4452/4885ALDH1A1 1729/4885HPGD 1199/4885

“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.