SCHEMBL981360

SCHEMBL981360

Cc1ccccc1OC(=O)NCCCCCCNC(=O)Oc1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
FAAH O00519 3/20 0.49
CNR1 P21554 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
ALDH1A1 P00352 1/20 0.48
NCEH1 Q6PIU2 1/20 0.47
CNR2 P34972 1/20 0.46
PLA2G4A P47712 1/20 0.46

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
SCHEMBL25277427 0.94 MGLL (0.64) MGLL
SCHEMBL25276938 0.92 MGLL (0.62) MGLLNCEH1
SCHEMBL25278123 0.90 NCEH1 (0.58) MGLLALDH1A1NCEH1
SCHEMBL1954655 0.87 MGLL (0.50) MGLLFAAHCNR1DRD2DRD3
SCHEMBL25272434 0.87 MGLL (0.49) MGLLNCEH1
SCHEMBL25275004 0.83 L3MBTL1 (0.58)
SCHEMBL989314 0.82 NCEH1 (0.49) MGLLNCEH1
SCHEMBL1952636 0.81 ALOX5 (0.47) MGLLNCEH1
SCHEMBL1022803 0.81 MGLL (0.48) MGLLALDH1A1
SCHEMBL6167190 0.81 FAAH (0.44) MGLLFAAHCNR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
EP-2641896-B1 SEPARATION METHOD ASAHI CHEMICAL IND (JP) 2020-10-14 EP disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 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-9950273-B2 Method of separation ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-04-24 US 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-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
EP-2626345-A1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2013-08-14 EP disclosed
US-20130184488-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-18 US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 MGLL 2488/4885FAAH 200/4885CNR1 400/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH MGLL 763/4885FAAH 1088/4885CNR1 3481/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 MGLL 4744/4885FAAH 2620/4885CNR1 1794/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH MGLL 888/4885FAAH 1162/4885CNR1 1578/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH MGLL 1369/4885FAAH 130/4885CNR1 538/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 MGLL 1088/4885FAAH 662/4885CNR1 3651/4885
US-20130184488-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 MGLL 1088/4885FAAH 662/4885CNR1 3651/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 MGLL 1088/4885FAAH 662/4885CNR1 3651/4885

“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.