SCHEMBL983639

SCHEMBL983639

CCC(c1ccccc1O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
POLB P06746 2/20 0.44
HKDC1 Q2TB90 1/20 0.43
LMNA P02545 5/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
PTGS1 P23219 2/20 0.39
SLC6A2 P23975 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 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
SCHEMBL9861536 0.85 TSHR (0.63) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL984724 0.84 TSHR (0.57) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL27261082 0.84 TSHR (0.52) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL29027348 0.82 GABRA1 (0.54) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL983326 0.81 TSHR (0.53) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL6252337 0.81 TSHR (0.58) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL282162 0.80 TSHR (1.00) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL20721726 0.80 TSHR (1.00) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL15485172 0.80 TSHR (1.00) TSHRGABRA1GABRB2POLBHKDC1
SCHEMBL984697 0.80 TSHR (0.52) TSHRGABRA1GABRB2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186791-B2 Composition, method and use INNOSPEC LIMITED (GB) 2021-11-30 US disclosed
US-20200157445-A1 COMPOSITION, METHOD AND USE INNOSPEC LIMITED (GB) 2020-05-21 US 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
EP-2213658-B1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2015-09-09 EP disclosed
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds SHINOHATA MASAAKI (JP) 2011-12-29 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

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

For each of this compound's patents that has machine-readable text (8 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 4479/4885GABRA1 2484/4885GABRB2 2619/4885
US-20110319648-A1 Isocyanates and Aromatic Hydroxy Compounds PAH, APEH, HPD TSHR 4547/4885GABRA1 2782/4885GABRB2 3261/4885
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH TSHR 4853/4885GABRA1 4305/4885GABRB2 3761/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH TSHR 4813/4885GABRA1 4570/4885GABRB2 4527/4885
US-11186791-B2 Composition, method and use C5, H1-0, C9 TSHR 2707/4885GABRA1 2448/4885GABRB2 2447/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD TSHR 4571/4885GABRA1 2713/4885GABRB2 3296/4885
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 4479/4885GABRA1 2484/4885GABRB2 2619/4885
US-20200157445-A1 COMPOSITION, METHOD AND USE C5, H1-0, C9 TSHR 2707/4885GABRA1 2448/4885GABRB2 2447/4885

“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.