SCHEMBL16225802

SCHEMBL16225802

COc1ccc(-c2oc3c(C=O)c(O)ccc3c(=O)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.49
ERN1 O75460 1/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.46
CYP3A4 P08684 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCC1 P33527 1/20 0.45
GAA P10253 1/20 0.44
GRK6 P43250 1/20 0.44
BLM P54132 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL38660478 0.77 ALDH1A1 (0.65) POLBNPC1CYP3A4KDM4EALDH1A1
SCHEMBL38661462 0.76 ERN1 (0.61) ERN1POLBCYP3A4KDM4EALDH1A1
SCHEMBL8875615 0.76 ALDH1A1 (0.48) ABCG2POLBCYP3A4KDM4EALDH1A1
SCHEMBL15676015 0.73 ERN1 (0.63) ERN1MAOA
SCHEMBL8878027 0.72 ALDH1A1 (0.53) ABCG2POLBCYP3A4KDM4EALDH1A1
SCHEMBL10990870 0.71 ALDH1A1 (0.50) ABCG2NPC1CYP3A4KDM4EALDH1A1
SCHEMBL10804958 0.71 ABCG2 (0.47) ABCG2NPC1CYP3A4KDM4EALDH1A1
SCHEMBL10804964 0.71 ABCG2 (0.47) ABCG2NPC1CYP3A4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10990904 0.71 ALDH1A1 (0.52) ABCG2POLBCYP3A4KDM4EALDH1A1
SCHEMBL25328717 0.70 CSNK2A2 (0.65) ABCG2NPC1CYP3A4KDM4EALDH1A1

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ABCG2 1820/4885ERN1 3354/4885POLB 3364/4885

“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.