SCHEMBL982416

SCHEMBL982416

CCc1ccc(C)c(C)c1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.35
ACHE P22303 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8644389 0.88 PTPN1 (0.38) PTPN1SMN1; SMN2ACHEALDH1A1HTT
SCHEMBL5676418 0.87 GABRA1 (0.36) PTPN1SMN1; SMN2ACHEALDH1A1CYP2C9
SCHEMBL8641256 0.85 TYR (0.37) PTPN1ALDH1A1TSHRPKMKDM4E
SCHEMBL983663 0.82 PTPN1 (0.42) PTPN1SMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL980242 0.82 PTPN1 (0.49) PTPN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5678339 0.80 GABRA1 (0.41) PTPN1SMN1; SMN2ACHEALDH1A1TSHR
SCHEMBL982695 0.78 TSHR (0.50) PTPN1SMN1; SMN2ALDH1A1RAB9ATSHR
SCHEMBL16585755 0.77 PTPN1 (0.50) PTPN1SMN1; SMN2ACHEALDH1A1HTT
SCHEMBL5678081 0.77 GABRA1 (0.45) ALDH1A1TDP1
SCHEMBL12560287 0.76 ALDH1A1 (0.35) PTPN1SMN1; SMN2ALDH1A1TSHRKDM4E

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 PTPN1 3421/4885SMN1; SMN2 4174/4885ACHE 228/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH PTPN1 2297/4885SMN1; SMN2 4627/4885ACHE 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.