SCHEMBL982229

SCHEMBL982229

CCCCCCCCCCCCc1ccccc1Oc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
PTGS2 P35354 1/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
LIPG Q9Y5X9 1/20 0.51
BID P55957 3/20 0.51
MCL1 Q07820 3/20 0.51
BCL2L1 Q07817 2/20 0.51
BAK1 Q16611 2/20 0.51
KAT8 Q9H7Z6 2/20 0.51
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
SAE1 Q9UBE0 1/20 0.51

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
SCHEMBL981252 1.00 ALOX5 (0.54) ALOX5PTGS2THRATHRBLIPG
SCHEMBL984478 1.00 ALOX5 (0.54) ALOX5PTGS2THRATHRBLIPG
SCHEMBL983238 1.00 ALOX5 (0.54) ALOX5PTGS2THRATHRBLIPG
SCHEMBL981306 1.00 ALOX5 (0.54) ALOX5PTGS2THRATHRBLIPG
SCHEMBL1840588 1.00 ALOX5 (0.54) ALOX5PTGS2THRATHRBLIPG
SCHEMBL983622 0.98 ALOX5 (0.55) ALOX5PTGS2THRATHRBLIPG
SCHEMBL982212 0.93 ALOX5 (0.49) ALOX5PTGS2THRATHRBBID
SCHEMBL173283 0.90 THRA (0.58) ALOX5PTGS2THRATHRBLIPG
SCHEMBL8052297 0.90 THRA (0.58) ALOX5PTGS2THRATHRBLIPG
SCHEMBL8444310 0.90 THRA (0.58) ALOX5PTGS2THRATHRBLIPG

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 24 patents — showing the first 20. 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-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
US-9637445-B2 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) 2017-05-02 US 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
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20150259279-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) 2015-09-17 US disclosed
EP-2213658-B1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2015-09-09 EP disclosed
US-9056819-B2 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) 2015-06-16 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds SHINOHATA MASAAKI (JP) 2011-12-29 US disclosed
US-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 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-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US disclosed
EP-2213658-A1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-08-04 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
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

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-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 ALOX5 1668/4885PTGS2 1309/4885THRA 3946/4885
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD ALOX5 2681/4885PTGS2 983/4885THRA 4459/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH ALOX5 1229/4885PTGS2 76/4885THRA 4723/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH ALOX5 1820/4885PTGS2 295/4885THRA 4727/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD ALOX5 2318/4885PTGS2 545/4885THRA 4355/4885
US-20150259279-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 ALOX5 1668/4885PTGS2 1309/4885THRA 3946/4885

“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.