SCHEMBL14848593

SCHEMBL14848593

COC(=O)Cc1coc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSP90AB1 P08238 1/20 0.44
NR4A2 P43354 1/20 0.43
SLC7A5 Q01650 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
ACACA Q13085 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL13692012 0.83 NR4A2 (0.40) HPGDSMN1; SMN2NR4A2TSHRMAPT
SCHEMBL14848509 0.82 HTT (0.53) HPGDPKMTSHRMAPTALDH1A1
SCHEMBL14848513 0.77 ALDH1A1 (0.44) NR4A2ALDH1A1LMNA
SCHEMBL1428025 0.75 LMNA (0.62) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL27499053 0.75 ALDH1A1 (0.59) HPGDSMN1; SMN2HSP90AB1SLC7A5TSHR
SCHEMBL1929079 0.74 SLC7A5 (0.57) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL7642858 0.74 NR4A2 (0.55) HPGDPKMRAB9ANR4A2TSHR
SCHEMBL1870609 0.74 ALDH1A1 (0.62) HPGDRAB9ASMN1; SMN2HSP90AB1SLC7A5
Benzene SCHEMBL28096336 0.74 ALDH1A1 (0.62) HPGDRAB9ASMN1; SMN2HSP90AB1SLC7A5
SCHEMBL4675 0.74 ALDH1A1 (0.62) HPGDRAB9ASMN1; SMN2HSP90AB1SLC7A5

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-8933075-B2 Compounds useful as antiviral agents, compositions, and methods of use FUZIANS BIOMEDICALS, INC. (KY) 2015-01-13 US disclosed
US-20130090339-A1 COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE THE UAB RESEARCH FOUNDATION (US) 2013-04-11 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-20130090339-A1 COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE SAMHD1, ZC3HAV1, DDX5 HPGD 3316/4885NPC1 279/4885PKM 3638/4885

“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.