SCHEMBL980239

SCHEMBL980239

Cc1ccc(OC(=O)Oc2ccc(C)c(C)c2Cc2ccccc2)c(Cc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
IDH1 O75874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP2K1 Q02750 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL10883974 0.84 PTPN1 (0.44) PTPN1IDH1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL982413 0.78 NCEH1 (0.40) PTPN1ALDH1A1KDM4EGAAPOLB
SCHEMBL980241 0.78 PTPN1 (0.46) PTPN1IDH1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8644383 0.76 NCEH1 (0.41) PTPN1ALDH1A1KDM4EGAALMNA
SCHEMBL31345536 0.75 IDH1 (0.49) IDH1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL9066733 0.75 IDH1 (0.49) IDH1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL8641250 0.74 NCEH1 (0.45) PTPN1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL1834302 0.74 PTPN1 (0.58) PTPN1SMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL3634979 0.73 SHBG (0.48) IDH1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL29373154 0.73 SHBG (0.48) IDH1SMN1; SMN2ALDH1A1KDM4EGAA

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 9 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

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 3421/4885IDH1 6/4885SMN1; SMN2 4174/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH PTPN1 2297/4885IDH1 8/4885SMN1; SMN2 4627/4885

“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.