SCHEMBL16917433

SCHEMBL16917433

C=C(C)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.76
ALDH1A1 P00352 4/20 0.76
MAPT P10636 5/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
CDC25B P30305 1/20 0.40
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.38
ELANE P08246 1/20 0.38
USP1 O94782 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
Napabucasin SCHEMBL1883845 0.86 STAT3 (1.00) STAT3ALDH1A1MAPTHTTLMNA
Napabucasin SCHEMBL29349770 0.86 STAT3 (1.00) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL19597404 0.80 STAT3 (0.79) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL12640087 0.79 STAT3 (0.75) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL18730820 0.79 STAT3 (0.69) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL12494612 0.79 STAT3 (0.73) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL12640086 0.78 STAT3 (0.73) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL18691843 0.78 STAT3 (0.73) STAT3ALDH1A1MAPTHTTLMNA
SCHEMBL19820871 0.77 STAT3 (0.57) STAT3ALDH1A1MAPTHTTLMNA
Napabucasin SCHEMBL3654300 0.76 STAT3 (0.78) STAT3ALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133695-A1 METHODS AND COMPOSITIONS FOR REJUVENATING CNS GLIAL POPULATIONS BY SUPPRESION OF TRANSCRIPTION FACTORS UNIVERSITY OF ROCHESTER 2023-05-04 US disclosed
EP-3108750-B1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS 1GLOBE BIOMEDICAL CO LTD (CN) 2018-07-04 EP disclosed
US-20180140572-A1 COMPOSITIONS COMPRISING A CANCER STEMNESS INHIBITOR AND AN IMMUNOTHERAPEUTIC AGENT FOR USE IN TREATING CANCER BOSTON BIOMEDICAL, INC. 2018-05-24 US disclosed
US-20180098959-A1 METHODS FOR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2018-04-12 US disclosed
US-20180085341-A1 METHODS FOR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2018-03-29 US disclosed
US-9381184-B2 Compounds and compositions for targeting cancer stem cells BOSTON BIOMEDICAL, INC. (US) 2016-07-05 US disclosed
US-20160030384-A1 2-ACETYLNAPHTHO[2,3-B]FURAN -4,9-DIONE FOR USE ON TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2016-02-04 US disclosed
US-9084766-B2 Compounds and compositions for targeting cancer stem cells BOSTON BIOMEDICAL, INC. (US) 2015-07-21 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 (5 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-20230133695-A1 METHODS AND COMPOSITIONS FOR REJUVENATING CNS GLIAL POPULATIONS BY SUPPRESION OF TRANSCRIPTION FACTORS IKZF3, IKZF1, CXXC4 STAT3 8/4885ALDH1A1 3617/4885MAPT 3029/4885
US-20160030384-A1 2-ACETYLNAPHTHO[2,3-B]FURAN -4,9-DIONE FOR USE ON TREATING CANCER B3GNT2, NAT1, NQO1 STAT3 4742/4885ALDH1A1 65/4885MAPT 2559/4885
US-20180098959-A1 METHODS FOR TREATING CANCER FOLR2, TP53, EGFR STAT3 934/4885ALDH1A1 1188/4885MAPT 2995/4885
US-20180140572-A1 COMPOSITIONS COMPRISING A CANCER STEMNESS INHIBITOR AND AN IMMUNOTHERAPEUTIC AGENT FOR USE IN TREATING CANCER CD44, CD47, BMI1 STAT3 4/4885ALDH1A1 58/4885MAPT 4375/4885
US-20180085341-A1 METHODS FOR TREATING CANCER TP53, TUBB1, TUBB3 STAT3 1235/4885ALDH1A1 742/4885MAPT 1502/4885

“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.