SCHEMBL3928629

SCHEMBL3928629

CCOC(=O)C(C)(C)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MTNR1B P49286 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MTNR1A P48039 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2008777 0.88 MAOB (0.47) CNR2ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL20349586 0.88 ALDH1A1 (0.47) CNR2ALDH1A1MAPK1TSHRTDP1
SCHEMBL9325952 0.85 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL9692544 0.84 KMT2A (0.51) CNR2ALDH1A1MAPK1TSHRTDP1
SCHEMBL3507981 0.84 NPC1 (0.49) CNR2MAPK1TSHRCES2CES1
SCHEMBL20349587 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL4138316 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL9076689 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL2011761 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL9326581 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718285-B1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2016-03-16 EP disclosed
EP-2718285-B1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2016-03-16 EP disclosed
US-9193704-B2 Hydantoin derivatives as KV3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2015-11-24 US disclosed
US-9193704-B2 Hydantoin derivatives as KV3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2015-11-24 US disclosed
US-9193704-B2 Hydantoin derivatives as KV3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2015-11-24 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
EP-2718285-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2014-04-16 EP disclosed
WO-2012168710-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-12-13 WO disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 US disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
WO-2004093809-A2 SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2004-11-04 WO disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (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-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR CNR2 337/4885ALDH1A1 135/4885MAPK1 663/4885
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS KCNA3, KCND3, KCNN3 CNR2 621/4885ALDH1A1 1858/4885MAPK1 2183/4885

“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.