SCHEMBL1022161

SCHEMBL1022161

CCCCCc1cccc(C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
PTGS2 P35354 1/20 0.62
TYR P14679 1/20 0.56
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
LIPG Q9Y5X9 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ELANE P08246 2/20 0.47
CTSG P08311 2/20 0.47
IAPP P10997 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
SCHEMBL28362454 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL28362317 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL28358765 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL7171678 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL10475510 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL8591315 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL7178199 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL9317862 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL8398368 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1
SCHEMBL28809458 0.98 ALOX5 (0.60) ALOX5PTGS2TYRBIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
EP-4431491-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
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
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 CN 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-20020016514-A1 Process for producing dihydric phenol UBE INDUSTRIES, LTD 2002-02-07 US disclosed
EP-1167332-A1 Process for producing dihydric phenols Ube Industries, Ltd. (JP) 2002-01-02 EP disclosed
US-5071911-A THERMOPLASTIC RESIN COMPOSITION AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-10 US disclosed
EP-0352057-A2 Thermoplastic resin composition and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-01-24 EP disclosed
US-4611075-A Preparation of 4-(α,α-dihydrocarbyl-α-cyano-methyl)phenols ETHYL CORPORATION (US) 1986-09-09 US disclosed
US-4483800-A Preparation of 4-(α-alkyl-α-cyano-methyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1984-11-20 US disclosed
EP-0096640-A1 Preparation of 4-(alpha-alkyl-alpha-cyano-methyl)-2,6-di-substituted phenols ETHYL CORPORATION (US) 1983-12-21 EP disclosed
US-4405528-A FROM ALKYLPHENOLS, MULTISTAGE ETHYL CORPORATION (US) 1983-09-20 US disclosed
US-4078006-A HYDROGEN PEROXIDE OXIDATION UBE INDUSTRIES, LTD. (JA) 1978-03-07 US disclosed
US-4072722-A OXIDIZING A MONOHYDRIC PHENOL WITH A KETONE PEROXIDE UBE INDUSTRIES, LTD. (JA) 1978-02-07 US 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 (1 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-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 ALOX5 991/4885PTGS2 1862/4885TYR 833/4885

“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.