SCHEMBL989968

SCHEMBL989968

CCCCc1cccc(C)c1OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.48
PTGER3 P43115 2/20 0.48
PTGER2 P43116 2/20 0.48
PTGER1 P34995 1/20 0.48
PPARA Q07869 3/20 0.45
PPARG P37231 2/20 0.45
TSHR P16473 1/20 0.44
BID P55957 5/20 0.43
MCL1 Q07820 5/20 0.43
BCL2L1 Q07817 4/20 0.43
BAK1 Q16611 4/20 0.43
KAT8 Q9H7Z6 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL982922 0.94 PPARA (0.52) PTGER4PTGER3PTGER2PTGER1PPARA
SCHEMBL982332 0.90 TSHR (0.47) PTGER4PTGER3PTGER2PTGER1PPARA
SCHEMBL982695 0.85 TSHR (0.50) PTGER4PTGER3PTGER2PTGER1TSHR
SCHEMBL8641256 0.81 TYR (0.37) PPARAPPARGTSHRBIDMCL1
Benzene SCHEMBL2995124 0.80 ALOX5 (0.46) PTGER4PTGER3PTGER2PTGER1PPARA
SCHEMBL6304044 0.80 LIPG (0.43) PTGER4PTGER3PTGER2PTGER1PPARA
SCHEMBL5676885 0.80 TYR (0.40) PPARAPPARGTSHRBIDMCL1
SCHEMBL5678246 0.80 TYR (0.43) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL20534823 0.80 LIPG (0.42) PTGER4PTGER3PTGER2PTGER1PPARA
SCHEMBL6763527 0.78 ALOX5 (0.47) PTGER4PTGER3PTGER2PTGER1PPARA

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
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
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 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-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 US disclosed
EP-0591923-B1 Continuous production of aromatic carbonates DAICEL CHEM (JP) 1998-08-26 EP disclosed
US-5380908-A From alkylaryl carbonates produced from dialkyl carbonates and a phenol, distillation of alcohol DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-10 US disclosed
EP-0591923-A1 Continuous production of aromatic carbonates DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-13 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 (2 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 PTGER4 2699/4885PTGER3 2398/4885PTGER2 1974/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH PTGER4 2425/4885PTGER3 1659/4885PTGER2 1571/4885

“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.