SCHEMBL3261986

SCHEMBL3261986

COc1ccccc1C(=O)N=NOC(=O)ON=NC(=O)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 3/20 0.47
CTSD P07339 1/20 0.47
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 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
SCHEMBL3174780 0.88 HPGD (0.49) HPGDALDH1A1HTTCTSDSMN1; SMN2
SCHEMBL3261086 0.83 IRAK4 (0.59) HPGDALDH1A1HTTCA1CA2
SCHEMBL3259313 0.83 ELANE (0.37) HPGDALDH1A1HTTCTSDSMN1; SMN2
SCHEMBL3258435 0.83 HCRTR1 (0.51) HPGDALDH1A1HTTRAB9AL3MBTL1
SCHEMBL3258690 0.81 CTNNB1 (0.58) HPGDALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL20981427 0.79 CTSD (0.50) HPGDALDH1A1HTTCTSDSTAT3
SCHEMBL3260590 0.79 LMNA (0.56) ALDH1A1HTTSMN1; SMN2L3MBTL1KMT2A
Lithium Ion SCHEMBL20543206 0.78 CTSD (0.43) HPGDALDH1A1HTTCTSDSTAT3
SCHEMBL20543405 0.78 CTSD (0.43) HPGDALDH1A1HTTCTSDSTAT3
SCHEMBL21114699 0.78 CTSD (0.49) HPGDALDH1A1HTTCTSDSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952189-B2 Process for preparing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2015-02-10 US disclosed
US-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2010-10-14 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 (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-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES HDHD5, AHR, AGL HPGD 2498/4885ALDH1A1 3535/4885HTT 1154/4885

“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.