SCHEMBL42611

SCHEMBL42611

CCC(C)N(C(N)=O)C(C)CC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL2825317 0.86 ALOX5 (0.32) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4230778 0.79 ALOX5 (0.37) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27551949 0.77
SCHEMBL965048 0.77
SCHEMBL497744 0.76 ALDH1A1 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL4721437 0.76 FFAR3 (0.33) CA2TSHR
SCHEMBL2334377 0.76 TSHR (0.33) TSHR
SCHEMBL3926191 0.76 CA1 (0.34) ALOX5CA1CA2ALOX15
SCHEMBL967614 0.75 CHRNB2 (0.32) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10904052 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220256854-A1 PLANT TREATMENT COMPOSITION CRODA INTERNATIONAL PLC (GB) 2022-08-18 US claimed
EP-3986135-A1 PLANT TREATMENT COMPOSITION Croda International PLC (GB) 2022-04-27 EP claimed
WO-2024043261-A1 AZO COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME 日本化薬株式会社 2024-02-29 WO disclosed
CN-114026199-B Polarized light emitting film, polarized light emitting panel and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2023-12-26 CN disclosed
US-20230019461-A1 POLARIZED LIGHT-EMITTING FILM CONTAINING WATER-SOLUBLE COUMARIN COMPOUND OR SALT THEREOF, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-01-19 US disclosed
US-20220256854-A1 PLANT TREATMENT COMPOSITION CRODA INTERNATIONAL PLC (GB) 2022-08-18 US disclosed
CN-110945083-B Styrene compound or salt thereof, polarizing film, polarizing plate and display device 日本化药株式会社 2022-07-01 CN disclosed
EP-3998502-A1 POLARIZED LIGHT-EMITTING FILM CONTAINING WATER-SOLUBLE COUMARIN COMPOUND OR SALT THEREOF, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2022-05-18 EP disclosed
EP-3986135-A1 PLANT TREATMENT COMPOSITION Croda International PLC (GB) 2022-04-27 EP disclosed
CN-114026199-A Polarizing luminescent film, polarizing luminescent sheet, and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2022-02-08 CN disclosed
CN-110945083-A Styrene compound or salt thereof, polarizing film, polarizing plate and display device 日本化药株式会社 2020-03-31 CN disclosed
US-20020111350-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-08-15 US disclosed
US-6410550-B1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-25 US disclosed
US-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-13 US disclosed
WO-2001062736-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-08-30 WO disclosed
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
EP-1044189-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2000-10-18 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 WO disclosed
WO-1999035131-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-07-15 WO 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 (3 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-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ALOX5 3005/4885CHRNB2 255/4885CHRNB4 416/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ALOX5 3005/4885CHRNB2 255/4885CHRNB4 416/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ALOX5 3005/4885CHRNB2 255/4885CHRNB4 416/4885

“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.