SCHEMBL455748

SCHEMBL455748

CCc1c[c]cc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 3/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MPO P05164 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL3334277 0.84 LTA4H (0.39) ALDH1A1TAAR1IDO1AGXTCYP19A1
SCHEMBL3548891 0.83 PTGS2 (0.40) PTGS2ALDH1A1TAAR1CYP19A1GRIN2D
SCHEMBL16959022 0.83 NQO1 (0.42) TUBB1TSHR
SCHEMBL18706391 0.81 MAOB (0.42) ALDH1A1TAAR1IDO1AGXTCYP19A1
SCHEMBL9703243 0.81
SCHEMBL6298801 0.81 DAO (0.36) PTGS2ALDH1A1TAAR1IDO1AGXT
SCHEMBL29053716 0.81 IDO1 (0.36) PTGS2ALDH1A1TAAR1IDO1AGXT
SCHEMBL16951752 0.80 PTGS2 (0.49) PTGS2ALDH1A1MAPK1
SCHEMBL18706433 0.79 CHRM2 (0.41) ALDH1A1TSHR
SCHEMBL17046417 0.79 CA12 (0.38) PTGS2ALDH1A1TUBB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP claimed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
EP-4217062-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
CN-110473989-B Method for manufacturing organic light emitting element 株式会社LG化学 2022-05-27 CN disclosed
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-12-02 US disclosed
US-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-10-19 US disclosed
US-7189877-B2 Arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSCH CORPORATION (JP) 2007-03-13 US disclosed
EP-1752440-A1 AMINE COMPOUND HAVING FLUORENE GROUP AS FRAMEWORK, PROCESS FOR PRODUCING THE AMINE COMPOUND, AND USE OF THE AMINE COMPOUND Tosoh Corporation (JP) 2007-02-14 EP disclosed
EP-1400578-B1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives TOSOH CORP (JP) 2005-11-30 EP disclosed
US-20040110958-A1 Novel arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSOH CORPORATION 2004-06-10 US disclosed
EP-1400578-A1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives Tosoh Corporation (JP) 2004-03-24 EP disclosed
US-6184245-B1 Cyclic ketone derivatives and their medical applications TORAY INDUSTRIES INC. (JP) 2001-02-06 US disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
EP-0962456-A1 CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-12-08 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 (6 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-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPL21, RPS21, AOC2 PTGS2 2096/4885ALDH1A1 1166/4885TAAR1 1065/4885
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 PTGS2 4036/4885ALDH1A1 1038/4885TAAR1 1855/4885
US-20040110958-A1 Novel arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices AHR, NAT1, AR PTGS2 2695/4885ALDH1A1 132/4885TAAR1 16/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP PTGS2 1867/4885ALDH1A1 472/4885TAAR1 339/4885
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPS17, RPS19, CDK17 PTGS2 4036/4885ALDH1A1 1038/4885TAAR1 1855/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP PTGS2 1845/4885ALDH1A1 450/4885TAAR1 337/4885

“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.