SCHEMBL1309569

SCHEMBL1309569

Cc1coc2cc(-c3ccccc3)oc(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 5/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTGES O14684 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.45
THRB P10828 2/20 0.44
KDM4E B2RXH2 6/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
ABCB1 P08183 3/20 0.43
AR P10275 4/20 0.41
CYP1B1 Q16678 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ABCG2 Q9UNQ0 2/20 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
SCHEMBL1309884 0.88 ADORA3 (0.49) MAPTKDM4EHPGDALDH1A1AR
SCHEMBL1309829 0.87 MAPT (0.49) CYP3A4MAPTTP53KDM4EHPGD
SCHEMBL1310144 0.85 PTGES (0.50) CYP3A4MAPTSMN1; SMN2TP53MEN1
SCHEMBL1312198 0.85 AR (0.44) MAPTARCYP1B1GABRPGABRD
SCHEMBL1310998 0.84 CYP3A4 (0.50) CYP3A4MAPTSMN1; SMN2TP53MEN1
SCHEMBL1310849 0.84 GABRP (0.47) ARCYP1B1GABRPGABRDGABRA1
SCHEMBL1312794 0.83 ALDH2 (0.38) CYP3A4MAPTPTGESHTTKDM4E
SCHEMBL1311018 0.83 ALDH2 (0.40) CYP3A4KMT2AKDM4EHPGDALDH1A1
SCHEMBL1310047 0.82 EGFR (0.53) CYP3A4MAPTSMN1; SMN2TP53MEN1
SCHEMBL1309556 0.82 CYP3A4 (0.52) CYP3A4MAPTSMN1; SMN2TP53MEN1

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-20110275707-A1 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS LEE KUO-HSIUNG 2011-11-10 US disclosed
US-20110275707-A1 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS LEE KUO-HSIUNG 2011-11-10 US disclosed
WO-2010080415-A2 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-07-15 WO 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-20110275707-A1 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS TP53, FOLR1, THPO CYP3A4 694/4885MAPT 4147/4885SMN1; SMN2 2268/4885

“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.