SCHEMBL826762

SCHEMBL826762

Clc1ccc2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
DYRK1A Q13627 4/20 0.47
CDK9 P50750 1/20 0.46
IDO1 P14902 3/20 0.45
CNR1 P21554 1/20 0.45
MAOB P27338 1/20 0.44
SLC6A4 P31645 1/20 0.43
AHR P35869 1/20 0.41
HTR1B P28222 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
EPM2A O95278 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41

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
SCHEMBL27363671 0.84 CYP2A6 (0.50) CYP2A6DYRK1ACDK9IDO1CNR1
SCHEMBL826716 0.81 CYP2A6 (0.44) CYP2A6CNR1AHRHTR1BKDM4E
Ethoxycarbonyl Group SCHEMBL28441815 0.79 CYP2A6 (0.45) CYP2A6IDO1CNR1SLC6A4HTR1B
Benzofuran SCHEMBL27671125 0.74 MAOB (0.43) CYP2A6IDO1CNR1MAOBAHR
SCHEMBL2149910 0.73 CYP2A6 (0.54) CYP2A6DYRK1ACDK9HTR1BKDM4E
SCHEMBL8798702 0.73 CYP2A6 (0.45) CYP2A6DYRK1ACDK9IDO1AHR
SCHEMBL12319505 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BKDM4E
SCHEMBL320843 0.71 DYRK1A (0.55) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL6733 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9IDO1AHR
SCHEMBL2008439 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
US-12391660-B2 Heteroaromatic acetamide derivative, and preparation and use thereof HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2025-08-19 US disclosed
CN-119591881-A Polyether organic silicon copolymer containing star polyether, and preparation method and application thereof 江苏美思德化学股份有限公司 2025-03-11 CN disclosed
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR OCEAN UNIVERSITY OF CHINA (CN) 2024-10-03 US disclosed
CN-118496276-A Organic electroluminescent material and device 环球展览公司 2024-08-16 CN disclosed
US-20240270777-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-08-15 US disclosed
WO-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 WO disclosed
CN-113150003-B Organic light-emitting compound and organic electroluminescent device 北京绿人科技有限责任公司 2023-04-07 CN disclosed
US-20230047589-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2023-02-16 US disclosed
US-4431810-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1984-02-14 US disclosed
US-4423233-A ALPHA-HYDROXY CARBOXIMIDATE INTERMEDIATES PFIZER INC. (US) 1983-12-27 US disclosed
US-4381308-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-04-26 US disclosed
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed
US-4342771-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-08-03 US disclosed
US-4332952-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-06-01 US disclosed
US-4030926-A Light-sensitive material containing a dye-forming combination of a heterocyclic compound and a cyclic dihalodicarbonyl compound in a polymeric binder AGFA-GEVAERT, A.G. (DT) 1977-06-21 US disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 US 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 (4 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-12391660-B2 Heteroaromatic acetamide derivative, and preparation and use thereof TRPA1, TRPV1, TRPV5 CYP2A6 237/4885DYRK1A 1583/4885CDK9 3590/4885
US-20240270777-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, AOC2 CYP2A6 2622/4885DYRK1A 4499/4885CDK9 2613/4885
US-20230047589-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 CYP2A6 4003/4885DYRK1A 2526/4885CDK9 1895/4885
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR HDAC3, HDAC1, HDAC11 CYP2A6 731/4885DYRK1A 967/4885CDK9 401/4885

“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.