SCHEMBL7064540

SCHEMBL7064540

CCc1ccc(OC(=O)C(=O)Oc2ccc(CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP2C19 P33261 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
POLB P06746 1/20 0.49
THRB P10828 2/20 0.47
ELANE P08246 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 1/20 0.46
PLK1 P53350 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7061682 0.92 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL7064280 0.90 RAB9A (0.49) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL9577400 0.90 RAB9A (0.51) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL47952 0.86 RAB9A (0.56) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL4594651 0.86 ELANE (0.56) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL28097757 0.85 RAB9A (0.47) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL68678 0.84 LMNA (0.59) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL10653416 0.84 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL9671534 0.84 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA
SCHEMBL9671537 0.84 RAB9A (0.59) RAB9AALDH1A1SMN1; SMN2CYP2C19RXRA

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
US-9174918-B2 Process for preparing diaryl oxalate UBE INDUSTRIES, LTD. (JP) 2015-11-03 US disclosed
US-20120296063-A1 PROCESS FOR PREPARING DIARYL OXALATE UBE CORPORATION (JP) 2012-11-22 US disclosed
EP-1013633-B1 Process for producing a diaryl carbonate UBE INDUSTRIES (JP) 2003-05-28 EP disclosed
EP-0795539-B1 Process for producing a diaryl carbonate UBE INDUSTRIES (JP) 2001-10-31 EP disclosed
EP-0814074-B1 PROCESS FOR PREPARING DIARYL ESTERS OF OXALIC ACID UBE INDUSTRIES (JP) 2001-03-28 EP disclosed
EP-1013633-A1 Process for producing a diaryl carbonate Ube Industries, Ltd. (JP) 2000-06-28 EP disclosed
US-6018072-A SUBJECTING AN ALKYLARYL OXALATE TO A DISPROPORTIONATION REACTION IN THE PRESENCE OF A DISPROPORTIONATION CATALYST TO PRODUCE A DIARYL OXALATE WHILE REMOVING A DIALKYL OXALATE BY-PRODUCT UBE INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5811573-A Process for producing a diaryl carnonate UBE INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5731453-A Process for producing a diaryl carbonate UBE INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0814074-A1 PROCESS FOR PREPARING DIARYL ESTERS OF OXALIC ACID UBE INDUSTRIES, LTD. (JP) 1997-12-29 EP disclosed
EP-0795539-A1 Process for producing a diaryl carbonate UBE INDUSTRIES LIMITED (JP) 1997-09-17 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 (1 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-20120296063-A1 PROCESS FOR PREPARING DIARYL OXALATE TH, CYP2E1, ADH1A RAB9A 3449/4885ALDH1A1 279/4885SMN1; SMN2 4750/4885

“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.