SCHEMBL3260994

SCHEMBL3260994

CC(C)COc1ccccc1C(=O)N=NOC(=O)ON=NC(=O)c1ccccc1OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
ABCB1 P08183 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 3/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL3173900 0.90 ALDH1A1 (0.41) HTTALDH1A1TSHRABCB1SIRT2
SCHEMBL3258435 0.84 HCRTR1 (0.51) HTTALDH1A1TSHRLMNAKDM4E
SCHEMBL3258412 0.82 LMNA (0.50) HTTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3261086 0.81 IRAK4 (0.59) HTTALDH1A1IRAK4LMNAKDM4E
SCHEMBL3260590 0.81 LMNA (0.56) HTTALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3261986 0.79 HPGD (0.49) HTTALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3259032 0.79 HTT (0.53) HTTALDH1A1LMNAPARP1MEN1
SCHEMBL13763533 0.77 HTT (0.71) HTTALDH1A1TSHRABCB1SIRT2
SCHEMBL3339926 0.76 ABCB1 (0.64) HTTALDH1A1TSHRABCB1LMNA
SCHEMBL477006 0.76 ALDH1A1 (0.59) HTTALDH1A1TSHRABCB1LMNA

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 HTT 1154/4885ALDH1A1 3535/4885TSHR 4547/4885

“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.