SCHEMBL21657774

SCHEMBL21657774

COc1cccc2c1C(=O)c1c(OC)cc(NC(=O)COCc3ccccc3)cc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.57
PTPN1 P18031 1/20 0.57
ELANE P08246 2/20 0.48
SLC37A4 O43826 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.41
BRD4 O60885 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL21657808 0.88 PTPRC (0.55) PTPRCPTPN1ALDH1A1MAPTNPSR1
SCHEMBL16921221 0.86 CYP2C19 (0.48) ELANEALDH1A1MAPTNPSR1EGFR
SCHEMBL21657837 0.85 PTPRC (0.55) PTPRCPTPN1ALDH1A1MAPTNPSR1
SCHEMBL16921214 0.84 ELANE (0.49) ELANESLC37A4ALDH1A1MAPTNPSR1
SCHEMBL21657777 0.82 KMT2A (0.53) ELANEALDH1A1MAPTEGFRPIM1
SCHEMBL15427193 0.82 EGFR (0.48) ELANEALDH1A1MAPTNPSR1EGFR
SCHEMBL15427181 0.82 EGFR (0.48) ELANEALDH1A1MAPTNPSR1EGFR
SCHEMBL15427180 0.82 EGFR (0.48) ELANEALDH1A1MAPTNPSR1EGFR
SCHEMBL16921219 0.80 EGFR (0.46) PTPRCELANEEGFRPIM1MEN1
SCHEMBL16921213 0.79 CYP1A2 (0.56) ELANEALDH1A1MAPTNPSR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872474-B1 ANTHRAQUINONE ANALOGS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2022-01-19 EP disclosed
US-10544090-B2 Anthraquinone analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-01-28 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-10544090-B2 Anthraquinone analogs and methods of making and using thereof PCNA, KRAS, RECQL PTPRC 4387/4885PTPN1 3445/4885ELANE 815/4885

“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.