SCHEMBL5117858

SCHEMBL5117858

COC1Oc2c(c(=O)oc3cc(C)c(C)cc23)C1c1c(O)c2cc(C)c(C)cc2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 11/20 0.46
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TSHR P16473 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B3 P37058 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL5118520 0.91 CSNK2A2 (0.38) NQO1CSNK2A2CSNK2BCSNK2A1TSHR
SCHEMBL5120322 0.87 NQO1 (0.46) NQO1TSHRHSD17B3KDM4EALDH1A1
SCHEMBL5126126 0.86 NQO1 (0.48) NQO1CSNK2A2CSNK2BCSNK2A1MAOB
SCHEMBL5124909 0.85 NQO1 (0.37) NQO1MAOBKDM4EALDH1A1MAPT
SCHEMBL5125229 0.84 PRNP (0.42) NQO1CSNK2A2CSNK2BCSNK2A1MAOB
SCHEMBL5341857 0.84 NQO1 (0.49) NQO1CSNK2A2CSNK2BCSNK2A1HSD17B3
SCHEMBL14172459 0.84 NQO1 (0.49) NQO1HSD17B3KDM4EALDH1A1HPGD
SCHEMBL5125433 0.83 NQO1 (0.38) NQO1CSNK2A2CSNK2BCSNK2A1MAOB
SCHEMBL5120361 0.82 NQO1 (0.53) NQO1CSNK2A2CSNK2BCSNK2A1TSHR
SCHEMBL5112347 0.82 NQO1 (0.47) NQO1MAOBMAPT

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-7384975-B2 Substituted furochromenes, preparation thereof and their antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-06-10 US disclosed
US-20060148889-A1 Substituted furochromenes, preparation thereof and their antiinflammatory action PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-07-06 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-20060148889-A1 Substituted furochromenes, preparation thereof and their antiinflammatory action CYP11B2, CYP11B1, LTC4S NQO1 60/4885CSNK2A2 886/4885CSNK2B 767/4885

“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.