SCHEMBL983663

SCHEMBL983663

Cc1ccc(C)c(OC(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL16585755 0.85 PTPN1 (0.50) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5194002 0.84 ALDH1A1 (0.41) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL982416 0.82 PTPN1 (0.41) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16450253 0.82 KDM4E (0.53) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL983662 0.80 PTPN1 (0.45) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8106146 0.79 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL982574 0.79 L3MBTL1 (0.58) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL47845 0.78 TSHR (0.46) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1NPC1
SCHEMBL8644389 0.78 PTPN1 (0.38) PTPN1ALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL47843 0.78 TSHR (0.46) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1NPC1

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-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
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 PTPN1 3421/4885ALDH1A1 2204/4885KDM4E 1003/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH PTPN1 2297/4885ALDH1A1 3223/4885KDM4E 364/4885

“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.