SCHEMBL1955870

SCHEMBL1955870

CCCCCCCCCCCCc1cccc(OC(N)=O)c1CCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
BID P55957 3/20 0.47
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
BAK1 Q16611 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
SAE1 Q9UBE0 2/20 0.47
EP300 Q09472 1/20 0.47
KAT2A Q92830 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT5 Q92993 1/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL30945786 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1954356 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL30945813 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL30945780 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1951559 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1839790 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1838288 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1955601 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL1953805 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5
SCHEMBL30945814 1.00 PPARA (0.54) PPARAPPARGTHRATHRBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 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 (4 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-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 PPARA 772/4885PPARG 753/4885THRA 4461/4885
US-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 PPARA 3740/4885PPARG 3380/4885THRA 3616/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A PPARA 3484/4885PPARG 2846/4885THRA 4586/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 PPARA 772/4885PPARG 753/4885THRA 4461/4885

“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.