SCHEMBL985212

SCHEMBL985212

C=CCc1cc(C)ccc1OC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ELANE P08246 1/20 0.49
ALOX5 P09917 2/20 0.48
PTGDR Q13258 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
PTGS1 P23219 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL27458540 0.86 L3MBTL1 (0.56) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL29107934 0.85 L3MBTL1 (0.43) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL11068040 0.85 L3MBTL1 (0.52) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL14375289 0.82 ELANE (0.51) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL982694 0.82 SLC13A5 (0.41) L3MBTL1MAPK1LMNAPTGDR2KDM4E
SCHEMBL3238750 0.80 L3MBTL1 (0.51) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL10328509 0.78 GABRA1 (0.56) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL982330 0.78 SLC13A5 (0.45) L3MBTL1ALDH1A1PTGDR2MEN1KMT2A
SCHEMBL11790737 0.77 CSNK2A1 (0.47) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL861238 0.77 KDM4E (0.51) ALDH1A1LMNAELANEKDM4EGAA

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 15 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
EP-2571090-B9 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
EP-2571090-B1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-09-07 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-20150044554-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-12 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
EP-2618418-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-07-24 EP disclosed
EP-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP 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-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP 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

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 L3MBTL1 3460/4885MAPK1 4396/4885ALDH1A1 2204/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH L3MBTL1 4612/4885MAPK1 3364/4885ALDH1A1 3223/4885

“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.