SCHEMBL980120

SCHEMBL980120

CCCCc1ccccc1C(C)(C)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TYR P14679 1/20 0.42
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
HTR1A P08908 1/20 0.40
IAPP P10997 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL983992 0.95 BID (0.48) TSHRALDH1A1TDP1TYRBID
SCHEMBL982959 0.94 BID (0.50) TSHRALDH1A1TDP1TYRBID
SCHEMBL983887 0.94 BID (0.50) TSHRALDH1A1TDP1TYRBID
SCHEMBL1837537 0.94 BID (0.50) TSHRALDH1A1TDP1TYRBID
SCHEMBL983273 0.94 BID (0.50) TSHRALDH1A1TDP1TYRBID
SCHEMBL983026 0.94 BID (0.50) TSHRALDH1A1TDP1TYRBID
SCHEMBL982239 0.94 BID (0.50) TSHRALDH1A1TDP1TYRBID
SCHEMBL986181 0.90 TSHR (0.48) TSHRALDH1A1TDP1BIDMCL1
SCHEMBL984373 0.88 TSHR (0.41) TSHRALDH1A1TDP1TYRBID
SCHEMBL981386 0.88 BID (0.41) TSHRALDH1A1TDP1TYRBID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2322504-B1 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) 2016-09-28 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
EP-2322504-A1 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 Kasei Chemicals Corporation (JP) 2011-05-18 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH TSHR 4853/4885ALDH1A1 2204/4885TDP1 1689/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH TSHR 4813/4885ALDH1A1 3223/4885TDP1 2459/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885ALDH1A1 574/4885TDP1 3561/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD TSHR 4571/4885ALDH1A1 2913/4885TDP1 2806/4885
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 TSHR 4479/4885ALDH1A1 2908/4885TDP1 1942/4885

“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.