SCHEMBL8367478

SCHEMBL8367478

CCCc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
PTGDR Q13258 1/20 0.39
CYP19A1 P11511 1/20 0.38
FAAH O00519 2/20 0.38
SLC6A4 P31645 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
DRD4 P21917 1/20 0.36
NOTUM Q6P988 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL27044834 0.89 SKP2 (0.42) CNR2CTNNB1WNT3APTGDRCYP19A1
SCHEMBL8190055 0.89 CNR1 (0.40) CNR1CNR2PTGDRLPLLIPG
SCHEMBL17973974 0.86 KIF11 (0.48) CNR1CNR2CTNNB1WNT3ACYP19A1
SCHEMBL2663369 0.85 CTNNB1 (0.41) CTNNB1WNT3ACYP19A1FAAHSLC6A4
SCHEMBL9589157 0.83 ALOX15 (0.50) CNR1CNR2LPLLIPGKIF11
SCHEMBL22657573 0.83 CTNNB1 (0.41) CTNNB1WNT3APTGDRCYP19A1FAAH
SCHEMBL10911819 0.81 CNR1 (0.40) CNR1CNR2LPLLIPGPDK2
SCHEMBL22657669 0.81 CTNNB1 (0.43) CTNNB1WNT3APTGDRCYP19A1FAAH
SCHEMBL1971747 0.81 TAAR1 (0.53) CTNNB1WNT3ACYP19A1FAAHSLC6A4
SCHEMBL22905342 0.81 MAPT (0.46) CTNNB1WNT3APTGDRFAAHHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116824-A1 PYRIDAZINONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 中国药科大学 2023-06-29 WO disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
WO-2009146358-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
US-4596880-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
EP-0006978-B1 BENZYL ESTERS WITH FLUORINATED ETHER AND/OR THIOETHER GROUPS, THEIR PREPARATIONS AND THEIR USE AS INSECTICIDES; INTERMEDIATE PRODUCTS AND THEIR PREPARATIONS BAYER AG (DE) 1986-01-29 EP disclosed
EP-0041131-B1 PREPARATION OF FLUORO-SUBSTITUTED BENZODIOXOLES AND BENZODIOXANES BAYER AG (DE) 1984-06-13 EP disclosed
US-4438275-A 2,2-DIFLUORO-BENZODIOXOLES BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4310540-A PYRETHROID-LIKE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1982-01-12 US disclosed
EP-0041131-A2 Preparation of fluoro-substituted benzodioxoles and benzodioxanes BAYER AG (DE) 1981-12-09 EP disclosed
EP-0006978-A2 Benzyl esters with fluorinated ether and/or thioether groups, their preparations and their use as insecticides; intermediate products and their preparations BAYER AG (DE) 1980-01-23 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 (1 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 CNR1 3461/4885CNR2 3177/4885CTNNB1 3817/4885

“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.