SCHEMBL128086

SCHEMBL128086

CC(C)Cc1c[c]ccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAOA P21397 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HTR2A P28223 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 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
SCHEMBL27932397 0.98 TAAR1 (0.34) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9330630 0.98 TAAR1 (0.34) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL27501269 0.87 ALDH1A1 (0.37) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL3603367 0.83 TAAR1 (0.33) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL2651837 0.83 TRPA1 (0.36) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL3616684 0.83 TAAR1 (0.33) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL3608914 0.83 TAAR1 (0.33) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL3016224 0.82 SIGMAR1 (0.45) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL1071752 0.82 TRPA1 (0.35) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL4967174 0.80 MAOB (0.34) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
WO-2024126475-A1 PROCESS FOR THE PRODUCTION OF AN ALKYLSTYRENE AND OF AN ALKYLPHENYL PROPIONIC ACID BASF SE (DE) 2024-06-20 WO claimed
EP-4134362-B1 IBUPROFEN ESTER DERIVATIVE AND EMULSION FORMULATION THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECH CO LTD (CN) 2024-02-28 EP claimed
WO-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO claimed
WO-2021113498-A1 CYCLOOXYGENASE-2 INHIBITION FOR THE TREATMENT OF SAA-HIGH ASTHMA THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-10 WO claimed
CN-106232120-B Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2- (1H) -ones 爱尔皮奥治疗有限公司 2021-01-08 CN claimed
CN-104447495-B Chiral beta replaces α, the preparation method of β unsaturated amino alcohols class compounds 上海交通大学 2017-08-01 CN claimed
US-9388135-B2 Process for preparing N-benzyl-3-hydroxy-4-substituted-pyridin-2-(1H)-ones AERPIO THERAPEUTICS, INC. (US) 2016-07-12 US claimed
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. 2015-08-20 US claimed
US-8344142-B2 perylenetetracarboxylic diimide core having side chains (groups or mesogens) attached to the core; to provide charge-transport materials having various volatilities, solubilities, crystallinity, and charge transport ability; organic light emitting diode; photovoltaic cells, light-emitting diodes GEORGIA TECH RESEARCH CORPORATION (US) 2013-01-01 US claimed
WO-1998025918-A1 ANALGESIC, ANTI-INFLAMMATORY AND ANTI-THROMBOSIS ESTERS OF NITRATED CYCLOALIPHATIC ALCOHOLS HOECHST MARION ROUSSEL (FR) 1998-06-18 WO claimed
EP-0623104-B1 PROFEN RESOLUTION ALBEMARLE CORP (US) 1997-08-27 EP claimed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN claimed
CN-1025609-C Process for purifying 2-(4-isobutylphenyl)-propionic acid HOECHST AG (US) 1994-08-10 CN claimed
US-5206149-A Reaction of peroxidase, oxidant, luminol and 2-hydroxy-9-fluorenone enhancer; chemiluminescence TORAY INDUSTRIES, INC. (JP) 1993-04-27 US claimed
US-5198568-A Improved resolution of enantiomorphs by forming water soluble derivatives, ibuprofen derivatives SEPRACOR, INC. (US) 1993-03-30 US claimed
EP-0423133-A4 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS 1992-04-15 EP claimed
EP-0423133-A1 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS. SEPRACOR INC (US) 1991-04-24 EP claimed
WO-1989009765-A1 ENZYMATIC RESOLUTION SYSTEMS AND COMPOUNDS USEFUL IN THE SYSTEMS AND THEIR REPARATIONS SEPRACOR, INC. (US) 1989-10-19 WO claimed
CN-1035821-A The method of purification of 2-(4-isobutylphenyl)-propionic acid HOECHST AG (DE) 1989-09-27 CN claimed

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-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 TAAR1 916/4885SLC6A2 188/4885SLC6A4 956/4885
US-20150232425-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES CYP4B1, CYP8B1, HPD TAAR1 3279/4885SLC6A2 3816/4885SLC6A4 2924/4885

“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.