SCHEMBL982413

SCHEMBL982413

CCc1c(OC(=O)Oc2ccc(C)c(C)c2CC)ccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.40
PTPN1 P18031 1/20 0.38
ACHE P22303 3/20 0.35
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TYMS P04818 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
STAT3 P40763 1/20 0.32
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29624583 0.86 ACHE (0.50) NCEH1PTPN1ACHEHSD17B10KDM4E
SCHEMBL8644383 0.86 NCEH1 (0.41) NCEH1PTPN1ACHEHSD17B10KDM4E
SCHEMBL8641250 0.84 NCEH1 (0.45) NCEH1PTPN1HSD17B10KDM4EHPGD
SCHEMBL1845565 0.84 PTPN1 (0.36) NCEH1PTPN1ACHEHSD17B10KDM4E
SCHEMBL15019918 0.83 PTPN1 (0.38) NCEH1PTPN1ACHEHSD17B10KDM4E
SCHEMBL27615615 0.82 THRB (0.43) NCEH1PTPN1ACHEHSD17B10KDM4E
SCHEMBL1836811 0.81 POLB (0.38) NCEH1PTPN1ACHEHSD17B10KDM4E
SCHEMBL980239 0.78 PTPN1 (0.49) PTPN1KDM4EKMT2ALMNAGAA
SCHEMBL1836088 0.78 POLB (0.43) NCEH1PTPN1ACHEMAPK1KMT2A
SCHEMBL29580838 0.78 NCEH1 (0.46) NCEH1PTPN1ACHEHSD17B10KDM4E

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 12 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
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 NCEH1 494/4885PTPN1 3421/4885ACHE 228/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH NCEH1 1051/4885PTPN1 2297/4885ACHE 845/4885

“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.