SCHEMBL983504

SCHEMBL983504

CCCCCCc1ccccc1-c1[c]cccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
LIPG Q9Y5X9 1/20 0.47
GPR3 P46089 1/20 0.40
PTPN1 P18031 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYSLTR2 Q9NS75 6/20 0.38
CYSLTR1 Q9Y271 6/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 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
SCHEMBL17802343 1.00 NR1H2 (0.50) NR1H2NR1H3LIPGGPR3PTPN1
SCHEMBL981930 0.98 NR1H2 (0.48) NR1H2NR1H3LIPGGPR3PTPN1
SCHEMBL982518 0.93 NR1H2 (0.42) NR1H2NR1H3LIPGGPR3CYSLTR2
SCHEMBL12816417 0.88 NR1H2 (0.46) NR1H2NR1H3LIPGGPR3PTPN1
SCHEMBL983253 0.86 NR1H2 (0.34) NR1H2NR1H3LIPGPPARA
SCHEMBL11292680 0.84 NR1H2 (0.34) NR1H2NR1H3LIPG
SCHEMBL982134 0.81 NR1H2 (0.38) NR1H2NR1H3LIPGKCNH2BID
SCHEMBL9619382 0.80 LIPG (0.62) NR1H2NR1H3LIPGGPR3PTPN1
SCHEMBL196217 0.80 LIPG (0.62) NR1H2NR1H3LIPGGPR3PTPN1
SCHEMBL8157124 0.80 LIPG (0.62) NR1H2NR1H3LIPGGPR3PTPN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678532-B Organic photochromic dye and use thereof for dye sensitized solar cells 法国原子能源和替代能源委员会 2023-11-03 CN disclosed
CN-110678532-A Organic photochromic dye and application thereof in dye-sensitized solar cell 法国原子能源和替代能源委员会 2020-01-10 CN disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8937195-B2 Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-20 US disclosed
EP-2691406-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) Sumitomo Chemical Company, Limited (JP) 2014-02-05 EP disclosed
US-20140018564-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
WO-2012133935-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133924-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 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 (1 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH NR1H2 4195/4885NR1H3 4172/4885LIPG 28/4885

“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.