SCHEMBL4050123

SCHEMBL4050123

COc1ccc2c(c1)-c1nc(Cl)ccc1C(=O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.54
NSD2 O96028 1/20 0.54
USP8 P40818 2/20 0.54
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CYP19A1 P11511 1/20 0.41
NQO1 P15559 1/20 0.41
POR P16435 1/20 0.41
MAOA P21397 1/20 0.41
MALT1 Q9UDY8 1/20 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
SCHEMBL28155812 0.77 CA1 (0.57) USP8ALDH1A1CA1CA2CA4
SCHEMBL1821340 0.75 NSD2 (0.55) TDP2NSD2USP8ALDH1A1HSP90AA1
SCHEMBL2990259 0.75 S100A4 (0.55) USP8ALDH1A1CA1CA2CA4
SCHEMBL9656985 0.74 ALKBH3 (0.53) USP8ALDH1A1CA1CA2CA4
SCHEMBL30004012 0.74 ALKBH3 (0.53) USP8ALDH1A1CA1CA2CA4
SCHEMBL2993382 0.74 CA1 (0.53) USP8ALDH1A1CA1CA2CA4
SCHEMBL23111388 0.73 CA1 (0.57) USP8ALDH1A1CA1CA2CA4
SCHEMBL7451901 0.73 CA1 (0.57) USP8ALDH1A1CA1CA2CA4
SCHEMBL7786812 0.73 CA1 (0.57) USP8ALDH1A1CA1CA2CA4
SCHEMBL2252533 0.73 CA1 (0.57) USP8ALDH1A1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 TDP2 2245/4885NSD2 3209/4885USP8 3692/4885

“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.