SCHEMBL2928588

SCHEMBL2928588

CCCCCCc1cccc(CC)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.65
GABRB2 P47870 1/20 0.65
ALOX5 P09917 1/20 0.62
PTGS2 P35354 1/20 0.62
BID P55957 3/20 0.58
MCL1 Q07820 3/20 0.58
BCL2L1 Q07817 2/20 0.58
BAK1 Q16611 2/20 0.58
KAT8 Q9H7Z6 2/20 0.58
PPARA Q07869 2/20 0.58
SAE1 Q9UBE0 2/20 0.58
PPARG P37231 1/20 0.58
EP300 Q09472 1/20 0.58
KAT2A Q92830 1/20 0.58
KAT2B Q92831 1/20 0.58
KAT5 Q92993 1/20 0.58
TYR P14679 1/20 0.56
LIPG Q9Y5X9 1/20 0.55
ELANE P08246 2/20 0.52
CTSG P08311 2/20 0.52

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
SCHEMBL18551678 1.00 GABRA1 (0.65) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL1022944 0.98 GABRA1 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL4962037 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL199708 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL11615237 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL11618297 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL10926251 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL4959229 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL11621072 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID
SCHEMBL4960231 0.94 ALOX5 (0.68) GABRA1GABRB2ALOX5PTGS2BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO 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-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
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
CN-101652344-B 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 CORP JP 2014-06-04 CN disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US 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
CN-101652344-A 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 CORP (JP) 2010-02-17 CN 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-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 (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-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 GABRA1 2484/4885GABRB2 2619/4885ALOX5 1668/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH GABRA1 3485/4885GABRB2 3096/4885ALOX5 1174/4885
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 GABRA1 2484/4885GABRB2 2619/4885ALOX5 1668/4885

“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.