SCHEMBL980753

SCHEMBL980753

CC(C)CCOC(=O)NCCCCCCNC(=O)OCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 0.56
▸ CHRNB2 P17787 3/20 0.51
▸ CHRNB4 P30926 3/20 0.51
▸ CHRNA3 P32297 3/20 0.51
▸ CHRNA4 P43681 3/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL13073329 0.89 ACHE (0.72) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6889320 0.85 CHRNB2 (0.70) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26631996 0.85 HRH3 (0.58) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28684010 0.84 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24177505 0.84 ACHE (0.61) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29328381 0.84 ACHE (0.60) ACHE
SCHEMBL20193305 0.83 HRH3 (0.48) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3966156 0.83 ACHE (0.70) ACHE
SCHEMBL14996209 0.82 ACHE (0.64) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16363608 0.82 ACHE (0.49) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-26 — — US disclosed
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 — — US disclosed
WO-2021100131-A1 METHOD FOR PRODUCING ISOCYANATE 旭化成株式会社 2021-05-27 — — WO disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 — — US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 — — EP disclosed
EP-2626345-B1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2019-01-16 — — EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 — — EP disclosed
US-20180105489-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-04-19 — — US disclosed
US-9884810-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-02-06 — — US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 — — US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 — — EP disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 — — EP disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 — — EP disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 — — US disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 — — US disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 — — US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 — — EP disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 — — EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 — — 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 (9 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 ACHE 543/4885CHRNB2 1948/4885CHRNB4 2736/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ACHE 29/4885CHRNB2 3877/4885CHRNB4 3543/4885
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR ACHE 667/4885CHRNB2 3220/4885CHRNB4 4019/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ACHE 29/4885CHRNB2 3877/4885CHRNB4 3543/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH ACHE 404/4885CHRNB2 3250/4885CHRNB4 3893/4885
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, IDH3A, ALKBH3 ACHE 31/4885CHRNB2 4084/4885CHRNB4 3870/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH ACHE 845/4885CHRNB2 3666/4885CHRNB4 4229/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 ACHE 111/4885CHRNB2 4133/4885CHRNB4 3726/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 ACHE 111/4885CHRNB2 4133/4885CHRNB4 3726/4885

“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.

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