SCHEMBL982695

SCHEMBL982695

CCc1cccc(C)c1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PTGS2 P35354 1/20 0.42
NLRP3 Q96P20 1/20 0.41
KMT2A Q03164 2/20 0.41
PTPN1 P18031 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL982332 0.88 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL989968 0.85 PTGER4 (0.48) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL982574 0.84 L3MBTL1 (0.58) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL27641372 0.84 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL982922 0.82 PPARA (0.52) KDM4EHSD17B10PTGS2PTGER1PTGER4
SCHEMBL985213 0.82 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL11436114 0.81 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL24849230 0.81 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL28224179 0.81 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD
Acetic Acid SCHEMBL28743770 0.80 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1KDM4EHPGD

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 16 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
CN-101607908-B Process for preparing diaryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG 2014-07-23 CN disclosed
CN-101423473-B Method for producing diaryl carbonates and/or alkylaryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG 2014-06-18 CN 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
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
CN-101607908-A Process for preparing diaryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2009-12-23 CN disclosed
CN-101423473-A Method for producing diaryl carbonates and/or alkylaryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2009-05-06 CN 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 TSHR 4853/4885SMN1; SMN2 4174/4885ALDH1A1 2204/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH TSHR 4813/4885SMN1; SMN2 4627/4885ALDH1A1 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.