SCHEMBL48019

SCHEMBL48019

CCc1c(C)cccc1OC(=O)Oc1cccc(C)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
NCEH1 Q6PIU2 1/20 0.39
POLB P06746 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1B P49286 1/20 0.37
ELANE P08246 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL6016708 0.87 PTPN1 (0.54) PTPN1TDP1ESR1TSHRKDM4E
SCHEMBL48020 0.87 SLC22A12 (0.40) PTPN1NCEH1POLBSLC22A12TAS1R3
SCHEMBL1836772 0.85 TDP1 (0.41) NCEH1SMN1; SMN2TDP1KMT2AATM
SCHEMBL1838116 0.84 POLB (0.46) POLBTDP1MEN1KMT2AL3MBTL1
SCHEMBL988680 0.83 GABRA1 (0.43) NCEH1MTNR1BELANEL3MBTL1KDM4E
SCHEMBL29580903 0.83 GABRA1 (0.43) NCEH1MTNR1BELANEL3MBTL1KDM4E
SCHEMBL1836088 0.81 POLB (0.43) PTPN1NCEH1POLBTDP1MEN1
SCHEMBL1837761 0.80 TDP1 (0.40) NCEH1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL28382164 0.80 TSHR (0.39) SLC22A12TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL1841644 0.79 L3MBTL1 (0.42) NCEH1MTNR1BMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070262694-A1 LIGHT-EMITTING DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2007-11-15 US claimed
EP-3795561-B1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2024-11-06 EP disclosed
CN-114728892-A Method for producing isocyanate 旭化成株式会社 2022-07-08 CN disclosed
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
US-11306055-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-04-19 US disclosed
EP-3626704-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-11-24 EP disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed
EP-3795561-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-03-24 EP disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 US disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed
US-20070262694-A1 LIGHT-EMITTING DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2007-11-15 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 PTPN1 4759/4885NCEH1 638/4885POLB 2273/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 PTPN1 4759/4885NCEH1 638/4885POLB 2273/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 PTPN1 3531/4885NCEH1 531/4885POLB 376/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH PTPN1 2297/4885NCEH1 1051/4885POLB 2740/4885
US-11306055-B2 Isocyanate production method CA7, IDH3A, CA4 PTPN1 4522/4885NCEH1 115/4885POLB 2855/4885

“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.