SCHEMBL1119954

SCHEMBL1119954

c1ccc2cc(C3CO3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SLC6A4 P31645 12/20 0.53
SLC6A2 P23975 8/20 0.53
SLC6A3 Q01959 8/20 0.53
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 6/20 0.45
KCNH2 Q12809 4/20 0.45
CYP3A4 P08684 1/20 0.45
DRD2 P14416 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
SCHEMBL10300821 1.00 TSHR (0.54) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL5852687 1.00 TSHR (0.54) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL29434698 1.00 TSHR (0.54) TSHRSLC6A4SLC6A2SLC6A3HTR2C
Methyl Alcohol SCHEMBL8766880 0.94 SLC6A4 (0.49) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL25543096 0.94 TSHR (0.52) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL9912114 0.88 SLC6A4 (0.48) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL15274534 0.88 SLC6A4 (0.44) TSHRSLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL8754871 0.83 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL8828030 0.79 CYP2A6 (0.52) TSHRSLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL10517137 0.79 SLC6A3 (0.50) SLC6A4SLC6A2SLC6A3HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605937-B1 Antistatic resin composition DAISO CO LTD (JP) 1997-06-11 EP claimed
EP-0605937-A1 Antistatic resin composition DAISO CO., LTD. (JP) 1994-07-13 EP claimed
CN-115246761-A Preparation method of polysubstituted naphthalene derivative 清华大学 2022-10-28 CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
EP-3544979-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-02 EP disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 US disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 US disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 WO disclosed
EP-0589484-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-30 EP disclosed
EP-0587194-A1 2-(Heterocycloalkoxy)-1-(subst.-phenyl)-ethanol derivatives as cerebral function improving agents TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP disclosed
US-5281606-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1994-01-25 US disclosed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US disclosed
EP-0458697-A1 N-substituted trifluoromethylphenyl tetrahydropyridines, process for their preparation, intermediates and pharmaceutical preparations containing them ELF SANOFI (FR) 1991-11-27 EP disclosed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 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 (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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TSHR 2531/4885SLC6A4 602/4885SLC6A2 1689/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TSHR 2531/4885SLC6A4 602/4885SLC6A2 1689/4885

“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.