SCHEMBL2601754

SCHEMBL2601754

COc1cc2cc(C(C)=O)c3c4cc5c(cc4ncc3c2cc1OC)OCO5

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NQO1 P15559 1/20 0.43
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.38
ATM Q13315 1/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
PDPK1 O15530 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2601755 0.91 ALDH1A1 (0.45) ALDH1A1HTTLMNANPSR1NQO1
SCHEMBL2601756 0.90 ALDH1A1 (0.44) ALDH1A1HTTLMNANPSR1NQO1
SCHEMBL2605586 0.87 ALDH1A1 (0.44) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL2601747 0.82 RAD52 (0.42) ALDH1A1HTTLMNANPSR1KMT2A
SCHEMBL2601750 0.82 ALDH1A1 (0.48) ALDH1A1HTTLMNANPSR1NQO1
SCHEMBL13017868 0.81 LMNA (0.47) ALDH1A1HTTLMNANPSR1NQO1
SCHEMBL2129981 0.81 SLC6A5 (0.38) ALDH1A1HTTLMNANPSR1NQO1
SCHEMBL2130106 0.79 ALDH1A1 (0.36) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL1726191 0.78 TDP1 (0.37) ALDH1A1HTTLMNANPSR1KDM4E
SCHEMBL13017869 0.77 PDPK1 (0.36) ALDH1A1HTTLMNANPSR1NQO1

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-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-14 US disclosed
US-9562051-B2 Methylenedioxybenzo [I] phenanthridine derivatives used to treat cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-07 US disclosed
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-04-26 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 (2 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-20170355706-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885HTT 1894/4885LMNA 1016/4885
US-20120101117-A1 METHYLENEDIOXYBENZO [I] PHENANTHRIDINE DERIVATIVES USED TO TREAT CANCER TOP2B, TOP1, TOP2A ALDH1A1 1190/4885HTT 1894/4885LMNA 1016/4885

“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.