SCHEMBL1310047

SCHEMBL1310047

COc1ccc(-c2cc3occ(C)c3c(=O)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
NTRK1 P04629 1/20 0.52
NTRK2 Q16620 1/20 0.52
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
NFKB1 P19838 2/20 0.49

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
SCHEMBL1312725 0.87 CASP3 (0.48) EGFRALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL1309884 0.85 ADORA3 (0.49) ALDH1A1MAPTKDM4ERAB9AHPGD
SCHEMBL1309556 0.85 CYP3A4 (0.52) NTRK1NTRK2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1310352 0.84 ABCB1 (0.51) ALDH1A1CYP3A4SMN1; SMN2MAPTKDM4E
SCHEMBL1312198 0.83 AR (0.44) MAPTCYP1A2MAOBTNKSCYP1A1
SCHEMBL1310144 0.83 PTGES (0.50) EGFRALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL1309569 0.82 CYP3A4 (0.46) ALDH1A1CYP3A4SMN1; SMN2MAPTKDM4E
SCHEMBL1312794 0.81 ALDH2 (0.38) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL1312728 0.80 ABCB1 (0.53) ALDH1A1CYP3A4MAPTKDM4ENPC1
SCHEMBL1311018 0.78 ALDH2 (0.40) ALDH1A1CYP3A4KDM4ENPC1RAB9A

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 1 patent. 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

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 EGFR 312/4885NTRK1 3634/4885NTRK2 4556/4885

“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.