SCHEMBL139095

SCHEMBL139095

COc1cccc2c1C(=O)c1cccc(C(C)=O)c1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
PIM1 P11309 1/20 0.62
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ELANE P08246 4/20 0.52
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
DUSP3 P51452 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.50
APAF1 O14727 1/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
FGFR2 P21802 1/20 0.48

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
SCHEMBL140417 0.95 EGFR (0.60) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL13881117 0.86 ELANE (0.52) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL13881116 0.86 ELANE (0.52) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL3417492 0.84 EGFR (0.76) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL11147739 0.81 ALDH1A1 (0.70) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL16226477 0.81 ELANE (0.68) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL8505898 0.81 ALDH1A1 (0.58) EGFRMEN1KMT2AALDH1A1MAPT
SCHEMBL7792566 0.81 EGFR (0.71) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL16076625 0.80 ELANE (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL612831 0.79 MAPT (0.74) EGFRPIM1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059067-A1 1-ACETYL-5-HYDROXYANTHRACENE-9,10-DIONE FOR TREATMENT OF RETINAL DISEASE CHARLESSON, LLC (US) 2012-03-08 US disclosed
US-20120059067-A1 1-ACETYL-5-HYDROXYANTHRACENE-9,10-DIONE FOR TREATMENT OF RETINAL DISEASE CHARLESSON, LLC (US) 2012-03-08 US disclosed
US-8058316-B2 STAT3 inhibiting compositions and methods CHARLESSON, LLC (US) 2011-11-15 US disclosed
US-8058316-B2 STAT3 inhibiting compositions and methods CHARLESSON, LLC (US) 2011-11-15 US disclosed
US-20110077306-A1 STAT3 INHIBITING COMPOSITIONS AND METHODS CHARLESSON, LLC (US) 2011-03-31 US disclosed
US-20110077306-A1 STAT3 INHIBITING COMPOSITIONS AND METHODS CHARLESSON, LLC (US) 2011-03-31 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-20110077306-A1 STAT3 INHIBITING COMPOSITIONS AND METHODS STAT3, STAT1, STAT5B EGFR 1350/4885PIM1 1180/4885MEN1 4872/4885
US-20120059067-A1 1-ACETYL-5-HYDROXYANTHRACENE-9,10-DIONE FOR TREATMENT OF RETINAL DISEASE ACAT1, ACAT2, LCLAT1 EGFR 2052/4885PIM1 4715/4885MEN1 4462/4885

“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.