SCHEMBL983278

SCHEMBL983278

CCCCCCCCC(CCC)(CCCCCCCC)C([O])=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.45
GGPS1 O95749 6/20 0.43
FDPS P14324 8/20 0.42
EPHX1 P07099 2/20 0.41
CES1 P23141 3/20 0.41

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
SCHEMBL2348666 1.00 CES2 (0.45) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2349521 1.00 CES2 (0.45) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2351472 1.00 CES2 (0.45) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2352319 0.98 CES2 (0.42) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2345884 0.95 CES2 (0.41) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2341017 0.95 CES2 (0.48) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2348620 0.95 CES2 (0.48) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2344936 0.95 CES2 (0.48) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2341260 0.93 CES2 (0.47) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2346030 0.93 CES2 (0.47) CES2GGPS1FDPSEPHX1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
EP-2147909-B1 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 CHEMICAL IND (JP) 2016-12-14 EP disclosed
EP-2078724-B1 PROCESS FOR PRODUCTION OF DIALKYLTIN DIALKOXIDES ASAHI CHEMICAL IND (JP) 2016-11-30 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
EP-2226328-B1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2012-12-26 EP disclosed
US-8168812-B2 Process for producing alkyl tin alkoxide compound and process for producing carbonic acid ester using said compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-05-01 US disclosed
US-8008518-B2 Process for producing dialkyl tin dialkoxides ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-08-30 US 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
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2226328-A1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-09-08 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-20100041908-A1 PROCESS FOR PRODUCING DIALKYL TIN DIALKOXIDES ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-02-18 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-2078724-A1 PROCESS FOR PRODUCTION OF DIALKYLTIN DIALKOXIDES Asahi Kasei Chemicals Corporation (JP) 2009-07-15 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 (5 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 CES2 111/4885GGPS1 741/4885FDPS 562/4885
US-20100041908-A1 PROCESS FOR PRODUCING DIALKYL TIN DIALKOXIDES DEK, DDT, DERA CES2 717/4885GGPS1 714/4885FDPS 86/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH CES2 125/4885GGPS1 83/4885FDPS 159/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH CES2 678/4885GGPS1 629/4885FDPS 863/4885
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound OXSR1, AOC2, OXER1 CES2 882/4885GGPS1 3460/4885FDPS 2127/4885

“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.