SCHEMBL16623936

SCHEMBL16623936

COc1ccc(-c2cc(=O)c3c(OC)c(C=O)c(C=O)cc3o2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
ABCG2 Q9UNQ0 4/20 0.70
TP53 P04637 1/20 0.70
MDM2 Q00987 1/20 0.70
CYP1B1 Q16678 4/20 0.65
CYP1A1 P04798 3/20 0.65
CYP1A2 P05177 1/20 0.65
OPRD1 P41143 1/20 0.65
HDAC6 Q9UBN7 1/20 0.60
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 3/20 0.57
MAPT P10636 3/20 0.57
MAPK1 P28482 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GLA P06280 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL16623939 0.86 ALDH1A1 (0.66) ABCB1MEN1KMT2AABCG2TP53
Sinensetin SCHEMBL29700880 0.83 ABCB1 (1.00) ABCB1MEN1KMT2AABCG2TP53
Sinensetin SCHEMBL29549544 0.83 ABCB1 (1.00) ABCB1MEN1KMT2AABCG2TP53
Sinensetin SCHEMBL621101 0.83 ABCB1 (1.00) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL24951027 0.82 ABCB1 (0.64) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL8069155 0.81 ABCB1 (0.82) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL1421602 0.80 ABCB1 (0.79) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL34468184 0.79 CYP1B1 (1.00) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL31238120 0.79 CYP1B1 (1.00) ABCB1MEN1KMT2AABCG2TP53
SCHEMBL3131502 0.79 CYP1B1 (1.00) ABCB1MEN1KMT2AABCG2TP53

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-20150098926-A1 Methods of Treating Hepatitis C Virus Infection THE J. DAVID GLADSTONE INSTITUTES 2015-04-09 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-20150098926-A1 Methods of Treating Hepatitis C Virus Infection HAVCR2, LIPC, FABP1 ABCB1 3420/4885MEN1 4813/4885KMT2A 3148/4885

“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.