SCHEMBL2555525

SCHEMBL2555525

COc1cc[n+]([O-])c(-c2c(OC)c(OC)cc[n+]2[O-])c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.38
ACHE P22303 2/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
NQO2 P16083 1/20 0.32
PRMT1 Q99873 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL1003702 0.81 ACHE (0.37) MAPK14ACHECA9SMN1; SMN2CA12
SCHEMBL13406179 0.75 CA1 (0.38) MAPK14ACHECA9CA12CA1
Acetic Acid SCHEMBL28354889 0.72 MAPT (0.40) MAPK14CA9SMN1; SMN2CA12CA1
SCHEMBL28215184 0.72 HMGCR (0.40) MAPK14CA9SMN1; SMN2MAPTTDP1
SCHEMBL3179374 0.71
SCHEMBL2991243 0.70 CA1 (0.33) ACHECA9CA12CA1CA2
SCHEMBL31651724 0.70 CA1 (0.33) ACHECA9CA12CA1CA2
SCHEMBL5894749 0.68 MAPT (0.35) ACHECA9CA12CA1CA2
SCHEMBL27277668 0.67 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL30701949 0.67 CA9 (0.50) ACHECA9SMN1; SMN2AOC3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552443-B1 IMPROVED TREATMENT OF RENAL CELL CARCINOMA ONCORENA AB (SE) 2021-07-14 EP disclosed
US-9005580-B2 Treatment of renal cell carcinoma ONCORENA AB (SE) 2015-04-14 US disclosed
US-20130101507-A1 Treatment of Renal Cell Carcinoma ONCORENA AB (SE) 2013-04-25 US disclosed
EP-2552443-A1 IMPROVED TREATMENT OF RENAL CELL CARCINOMA ONCORENA AB (SE) 2013-02-06 EP disclosed
WO-2011123027-A1 IMPROVED TREATMENT OF RENAL CELL CARCINOMA HARALDSSON BOERJE (SE) 2011-10-06 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-20130101507-A1 Treatment of Renal Cell Carcinoma OGFR, OAT, ASGR1 MAPK14 2191/4885ACHE 4471/4885CA9 1170/4885

“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.