SCHEMBL989967

SCHEMBL989967

CCCCc1cc(C)ccc1OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
SLC13A5 Q86YT5 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL982921 0.94 THRA (0.47) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL982330 0.90 SLC13A5 (0.45) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL15899584 0.87 KDM4E (0.42) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL28559606 0.86 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL982694 0.85 SLC13A5 (0.41) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL11395780 0.84 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL15899608 0.84 SLC13A5 (0.40) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL27715823 0.84 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL27715813 0.82 THRB (0.61) PTGER1PTGER4PTGER3PTGER2SLC13A5
SCHEMBL15899279 0.82 SLC13A5 (0.41) PTGER1PTGER4PTGER3PTGER2SLC13A5

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 PTGER1 3278/4885PTGER4 2699/4885PTGER3 2398/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH PTGER1 2460/4885PTGER4 2425/4885PTGER3 1659/4885

“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.