SCHEMBL984066

SCHEMBL984066

CCCCCCCCC(CCCC)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
TSHR P16473 1/20 0.48
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NAAA Q02083 1/20 0.41
CSNK1E P49674 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 2/20 0.38

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
SCHEMBL983205 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL983866 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL981296 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL983199 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL983265 0.98 TSHR (0.50) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL983520 0.98 TSHR (0.50) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL984167 0.98 TSHR (0.50) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL983333 0.98 TSHR (0.50) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL984155 0.98 TSHR (0.50) CYSLTR2CYSLTR1TSHRGABRA1GABRB2
SCHEMBL983633 0.98 TSHR (0.50) CYSLTR2CYSLTR1TSHRGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082183-A Multi-charged ionic compounds derived from polyamines, compositions thereof and use thereof as reverse demulsifiers for oil and gas operations 埃科莱布美国股份有限公司 2023-05-09 CN disclosed
CN-112584910-B Multi-charged ionic compounds derived from polyamines, compositions thereof and their use as reverse demulsifiers for oil and gas operations 埃科莱布美国股份有限公司 2023-03-14 CN disclosed
CN-112584910-A Multi-charged ionic compounds derived from polyamines, compositions thereof and their use as reverse demulsifiers for oil and gas operations 埃科莱布美国股份有限公司 2021-03-30 CN 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-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
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
US-20090293344-A1 Process for Removing Water and Water Soluble Contaminants From Biofuels BAKER HUGHES INCORPORATED (US) 2009-12-03 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 (5 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 CYSLTR2 2031/4885CYSLTR1 2620/4885TSHR 4479/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH CYSLTR2 1058/4885CYSLTR1 1784/4885TSHR 4853/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH CYSLTR2 1866/4885CYSLTR1 2178/4885TSHR 4813/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD CYSLTR2 2301/4885CYSLTR1 2691/4885TSHR 4571/4885
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 CYSLTR2 2031/4885CYSLTR1 2620/4885TSHR 4479/4885

“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.