SCHEMBL978583

SCHEMBL978583

COc1ccc2cc(OC)c(C(=O)O)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
ALDH1A1 P00352 7/20 0.72
HPGD P15428 4/20 0.72
HSD17B10 Q99714 1/20 0.55
POLB P06746 3/20 0.55
SLC16A3 O15427 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51

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
SCHEMBL22149604 0.87 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL20630210 0.86 ALDH1A1 (0.58) KDM4EALDH1A1HPGDPOLBCA9
SCHEMBL358180 0.85 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8204839 0.85 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5695675 0.85 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9990977 0.85 KDM4E (0.57) KDM4EALDH1A1HPGDPOLBNPC1
SCHEMBL617928 0.84 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3015373 0.84 HSD17B1 (0.74) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9736423 0.83 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8994618 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDPOLBSLC16A3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1199396-A Novel azepanes and their ring homologues for therapy and prophylaxis of protein kinase mediated diseases HOFFMANN LA ROCHE (CH) 1998-11-18 CN claimed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP claimed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO claimed
EP-3002280-B1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2023-05-24 EP 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
CN-103705519-A Cyclic triazo and diazo sodium channel blockers UNIV GREENWICH 2014-04-09 CN disclosed
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO 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
EP-2229371-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2010-09-22 EP disclosed
WO-2009090431-A1 CYCLIC TRIAZO AND DIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2009-07-23 WO disclosed
US-6136969-A PROTEIN KINASE INHIBITORS; 4-HYDROXYBENZOIC ACID 3-(4-(4-FLUOROBENZOYLOXY)-BENZOYLAMINO)-AZEPAN-4-YL ESTER HOFFMANN-LA ROCHE INC. (US) 2000-10-24 US disclosed
US-5907038-A PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1999-05-25 US disclosed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP disclosed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO 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.