SCHEMBL4171236

SCHEMBL4171236

O=C(O)c1cccc(-c2ccc(O)cc2O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA6 P23280 1/20 0.60
CA9 Q16790 1/20 0.60
KMO O15229 2/20 0.56
ERN1 O75460 1/20 0.51
FOLH1 Q04609 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
CNR2 P34972 1/20 0.49
DDT P30046 1/20 0.49
PIM1 P11309 1/20 0.48
PTGER1 P34995 1/20 0.48
KEAP1 Q14145 2/20 0.47
TTR P02766 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL4174614 0.86 NR1H4 (0.65) PIM1MEN1KMT2A
SCHEMBL6068002 0.84 ALOX5 (0.53) ALOX5AKR1C3AKR1C2CNR2MEN1
SCHEMBL13639736 0.84 PARP1 (0.61) ALOX5ERN1CNR2
SCHEMBL442496 0.84 KMO (0.63) CA12CA1CA2CA6CA9
SCHEMBL4344529 0.83 KMO (0.53) CA12CA1CA2CA6CA9
Hydrochloric Acid SCHEMBL27574419 0.82 KMO (0.61) CA12CA1CA2CA6CA9
SCHEMBL2558335 0.81 CNR2 (0.56) CA12CA1CA2CA6CA9
SCHEMBL4249787 0.81 CA12 (0.76) CA12CA1CA2CA6CA9
SCHEMBL29876694 0.81 CA12 (0.76) CA12CA1CA2CA6CA9
SCHEMBL28256321 0.81 KMO (0.55) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948146-B1 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-11-07 EP disclosed
US-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-01-29 US disclosed
EP-1948146-A2 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE Revotar Biopharmaceuticals AG (DE) 2008-07-30 EP disclosed
WO-2007039111-A2 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 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-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS SELP, SELE, SELL ALOX5 3106/4885CA12 2349/4885CA1 4303/4885

“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.