SCHEMBL5126580

SCHEMBL5126580

COc1ccc(-n2c(=O)[nH]c3cc(OC)cc(OC)c3c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
ATM Q13315 1/20 0.51
ESR2 Q92731 2/20 0.51
HSD17B10 Q99714 3/20 0.50
PKM P14618 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
ESR1 P03372 1/20 0.46
NTRK1 P04629 3/20 0.45
IGF1R P08069 3/20 0.45
FGFR1 P11362 3/20 0.45
NTRK2 Q16620 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.43
MAP3K11 Q16584 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL4224285 0.79 CA12 (0.51) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL6973438 0.73 HSD17B10 (0.66) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL11346077 0.73 ATM (0.57) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL5117114 0.72 HRH3 (0.50) ALDH1A1HPGDKMT2ALMNAESR2
SCHEMBL1663516 0.72 CA9 (0.55) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL11281609 0.71 NPC1 (0.48) KDM4EALDH1A1HPGDKMT2AATM
SCHEMBL14176442 0.71 PDE3B (0.45) ALDH1A1KMT2ALMNAESR2ESR1
SCHEMBL5120987 0.71 PDE3B (0.45) ALDH1A1KMT2ALMNAHSD17B10SMN1; SMN2
SCHEMBL14123260 0.71 ATM (0.63) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL29588320 0.70 ABCG2 (0.60) KDM4EALDH1A1HPGDKMT2ALMNA

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
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 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-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators ESR2, ESRRA, ESRRG KDM4E 2521/4885ALDH1A1 3264/4885HPGD 2229/4885

“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.