SCHEMBL12866149

SCHEMBL12866149

CCCCOc1cc(O)c2c(=O)c(OCCCC)c(-c3ccc(OCCCC)c(OCOC(C)=O)c3)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.78
POLH Q9Y253 4/20 0.60
ADORA3 P0DMS8 4/20 0.51
ABCG2 Q9UNQ0 3/20 0.51
ABCB1 P08183 2/20 0.51
ABCC1 P33527 2/20 0.51
PTGS1 P23219 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL13941669 0.93 ACE2 (0.78) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL12866476 0.92 ACE2 (0.76) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL17620379 0.91 ACE2 (0.94) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL12866635 0.91 ACE2 (0.74) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL17620271 0.89 ACE2 (0.83) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL17620268 0.87 ACE2 (0.80) ACE2POLHABCG2ABCB1ABCC1
SCHEMBL8737505 0.87 ACE2 (0.79) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL13076849 0.86 ACE2 (0.78) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL17620266 0.85 ACE2 (0.77) ACE2POLHADORA3ABCG2ABCB1
SCHEMBL15918780 0.84 ACE2 (0.74) ACE2POLHABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034413-A1 NOVEL QUERCETIN DERIVATIVES AS ANTI-CANCER AGENTS DABUR PHARMA LIMITED (IN) 2011-02-10 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-20110034413-A1 NOVEL QUERCETIN DERIVATIVES AS ANTI-CANCER AGENTS TP53, ABCG2, RELA ACE2 285/4885POLH 2309/4885ADORA3 3698/4885

“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.