SCHEMBL8065659

SCHEMBL8065659

O=C(Oc1ccccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.48
CES2 O00748 1/20 0.46
PTPRC P08575 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CES1 P23141 1/20 0.45
S100A4 P26447 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GPR35 Q9HC97 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL4756437 0.91 HSPB1 (0.48) HSPB1CES2PTPRCBCHEACHE
SCHEMBL8065660 0.90 CES2 (0.48) HSPB1CES2PTPRCBCHEACHE
SCHEMBL8065662 0.90 CES2 (0.48) HSPB1CES2PTPRCBCHEACHE
SCHEMBL1639302 0.85 ALDH1A1 (0.50) ALDH1A1HPGDMAPTRECQLMEN1
SCHEMBL1220299 0.80 ALDH1A1 (0.55) HSPB1CES2ALDH1A1GPR35TP53
SCHEMBL29379815 0.80 ALDH1A1 (0.55) HSPB1CES2ALDH1A1GPR35TP53
SCHEMBL10748570 0.80 PTPRC (0.58) CES2PTPRCBCHEACHECES1
SCHEMBL8065629 0.79 POLB (0.49) CES2CES1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL395708 0.79 ALDH1A1 (0.54) HSPB1PTPRCBCHEACHECES1
SCHEMBL8063661 0.78 AKR1C3 (0.51) CES2PTPRCCES1ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012676-B2 Processes for producing aryl carbamates, isocynates and polyureas using diaryl carbonate GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (CN) 2015-04-21 US disclosed
US-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-03-28 US disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 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-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE UROD, DDC, TST HSPB1 2245/4885CES2 1518/4885PTPRC 1259/4885

“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.