SCHEMBL12673294

SCHEMBL12673294

O=C1c2cc3ccc(O)cc3cc2C(=O)c2cc3cc(OS(=O)(=O)C(F)(F)F)ccc3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
ESR2 Q92731 5/20 0.46
ESR1 P03372 5/20 0.46
ATM Q13315 1/20 0.46
HSD11B1 P28845 1/20 0.45
MAOA P21397 1/20 0.41
UGT1A1 P22309 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL12673293 1.00 KMT2A (0.48) KMT2AMEN1ESR2ESR1ATM
SCHEMBL13953557 0.91 KMT2A (0.52) KMT2AMEN1ESR2ESR1ATM
SCHEMBL1897441 0.91 KMT2A (0.56) KMT2AMEN1ESR2ESR1ATM
SCHEMBL15205101 0.91 MEN1 (0.51) KMT2AMEN1ESR2ESR1ATM
SCHEMBL1889520 0.91 HSD11B1 (0.48) HSD11B1MAOBCA1CA2GAA
SCHEMBL12662082 0.91 HSD11B1 (0.48) HSD11B1MAOBCA1CA2GAA
SCHEMBL13933202 0.81 CA1 (0.49) KMT2AMEN1ESR2ESR1ATM
SCHEMBL598333 0.81 CA1 (0.50) KMT2AMEN1ESR2ESR1ATM
SCHEMBL4056753 0.80 CA1 (0.51) HSD11B1CA1CA2L3MBTL1HTR1A
SCHEMBL26205026 0.79 ESR2 (0.62) KMT2AMEN1ESR2ESR1MAOA

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-7935836-B2 Compounds comprising a linear series of five fused carbon rings, and preparation thereof FALLIS ALEXANDER GRAHAM 2011-05-03 US disclosed
US-20100004467-A1 COMPOUNDS COMPRISING A LINEAR SERIES OF FIVE FUSED CARBON RINGS, AND PREPARATION THEREOF FALLIS ALEXANDER GRAHAM 2010-01-07 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-20100004467-A1 COMPOUNDS COMPRISING A LINEAR SERIES OF FIVE FUSED CARBON RINGS, AND PREPARATION THEREOF JUP, CDH1, EML4 KMT2A 2878/4885MEN1 1402/4885ESR2 2226/4885

“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.