SCHEMBL980190

SCHEMBL980190

CCCCC(C)(C)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CNR1 P21554 11/20 0.42
CNR2 P34972 11/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
GPR18 Q14330 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36

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
SCHEMBL324567 0.94 ALDH1A1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
Bicarbonate SCHEMBL10884261 0.93 ALDH1A1 (0.46) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL983221 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL983874 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL1840803 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL981356 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL11639019 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL678356 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL11782350 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2
SCHEMBL982789 0.93 CNR1 (0.50) TSHRALDH1A1TDP1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
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-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 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
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP 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
EP-1020511-A2 Non-sludging high temperature resistant food compatible lubricant for food processing machinery EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-07-19 EP disclosed
US-6090761-A FOOD GRADE BASE OIL AND A COMBINATION OF FOOD GRADE ADDITIVES INCLUDING AN ANTIOXIDANT, A RUST INHIBITOR, AN ANTIWEAR ADDITIVE, AN ANTIFOAMANT, AND A COMBINATION OF UP TO 2.5 WT % EMULSIFIER AND COUPLING AGENT EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-07-18 US disclosed
US-6087308-A COMPRISING A FOOD GRADE LUBRICATING BASE OIL AND A POLYGLYCEROL FATTY ACID ESTER COUPLING AGENT TO IMPACT GOOD RESISTANCE TO WEAR, OXIDATION AND RUST AND EXHIBIT IMPROVED RESISTANCE TO SLUDGING WHILE IN SERVICE EXXON RESEARCH AND ENGINEERING COMPANY (US) 2000-07-11 US disclosed
WO-2000037592-A1 NON-SLUDGING, HIGH TEMPERATURE RESISTANT FOOD COMPATIBLE LUBRICANT FOR FOOD PROCESSING MACHINERY EXXON RESEARCH & ENGINEERING COMPANY (US) 2000-06-29 WO 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-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 TSHR 4479/4885ALDH1A1 2908/4885TDP1 1942/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD TSHR 4571/4885ALDH1A1 2913/4885TDP1 2806/4885

“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.