SCHEMBL1023316

SCHEMBL1023316

CCCCCCCc1ccc(O)c(CCCCCCC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.61
PTGS2 P35354 3/20 0.58
ESR1 P03372 2/20 0.58
ADRA2A P08913 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TACR2 P21452 2/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
SHBG P04278 1/20 0.58
HSPD1 P10809 1/20 0.58
ADRB3 P13945 1/20 0.58
HTR2C P28335 1/20 0.58
HSPE1 P61604 1/20 0.58
HIF1A Q16665 1/20 0.58

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
SCHEMBL8392959 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11783152 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL6212332 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1024221 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1024195 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL11783346 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL9651340 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1022113 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL1021010 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL8390293 1.00 KAT8 (0.61) KAT8PTGS2ESR1ADRA2AADORA3

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 115 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-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
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
US-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-26 US disclosed
EP-4063347-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2022-09-28 EP disclosed
CN-114728892-A Method for producing isocyanate 旭化成株式会社 2022-07-08 CN disclosed
EP-0309481-A1 PHOSPHORUS-CONTAINING LUBRICANT AND FUNCTIONAL FLUID COMPOSITIONS. LUBRIZOL CORP (US) 1989-04-05 EP disclosed
EP-0291521-A1 SULFUR-CONTAINING COMPOSITIONS, LUBRICANT, FUEL AND FUNCTIONAL FLUID COMPOSITIONS. LUBRIZOL CORP (US) 1988-11-23 EP disclosed
US-4755311-A Borated amine salt of dihydrocarbyl monothiophosphoric acid THE LUBRIZOL CORPORATION (US) 1988-07-05 US disclosed
WO-1988003552-A2 SULFUR-CONTAINING COMPOSITIONS, LUBRICANT, FUEL AND FUNCTIONAL FLUID COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1988-05-19 WO disclosed
WO-1987007638-A2 PHOSPHOROUS- AND SULFUR-CONTAINING LUBRICANT AND FUNCTIONAL FLUID COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1987-12-17 WO disclosed
WO-1987007637-A2 PHOSPHORUS-CONTAINING LUBRICANT AND FUNCTIONAL FLUID COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1987-12-17 WO disclosed
EP-0042270-B1 LUBRICATING OIL ADDITIVE, METHOD FOR MAKING THE SAME, LUBRICATING OIL ADDITIVE PACKAGE, AND LUBRICATING OIL COMPOSITION COMPRISING THE SAME, AND THE USE OF CERTAIN SUCCINIMIDES IN FORMING OIL ADDITIVES EDWIN COOPER INC. (US) 1984-09-12 EP disclosed
US-4374033-A REACTION PRODUCT OF AN ALIPHATIC HYDROCARBON SUBSTITUTED SUCCINIC ANHYDRIDE, AMINO PYRROLIDONE AND A BORON COMPOUND EDWIN COOPER, INC. (US) 1983-02-15 US disclosed
US-4295983-A Lubricating oil composition containing boronated N-hydroxymethyl succinimide friction reducers ETHYL CORPORATION (US) 1981-10-20 US disclosed
US-4138591-A Manufacture of alkylphenols BASF AKTIENGESELLSCHAFT (DE) 1979-02-06 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 (2 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-20230021574-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, IDH3A, ALKBH3 KAT8 106/4885PTGS2 1146/4885ESR1 3456/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 KAT8 145/4885PTGS2 1862/4885ESR1 2029/4885

“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.