SCHEMBL3789800

SCHEMBL3789800

OB(O)c1cc(Oc2ccccc2)ccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LTA4H P09960 5/20 0.45
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
TSHR P16473 1/20 0.44
TTR P02766 3/20 0.42
AKR1C3 P42330 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL3789064 0.85 CA1 (0.55) CA1CA2LTA4HNR1H2BAX
SCHEMBL31050822 0.81 CA1 (0.55) CA1CA2LTA4HNR1H2BAX
SCHEMBL20600 0.80 ENPP2 (0.59) CA1CA2LTA4HNR1H2BAX
SCHEMBL29889491 0.80 ENPP2 (0.59) CA1CA2LTA4HNR1H2BAX
SCHEMBL3785802 0.80 CA1 (0.53) CA1CA2LTA4HNR1H2BAX
SCHEMBL13857937 0.80 CA1 (0.53) CA1CA2LTA4HNR1H2BAX
SCHEMBL29955323 0.80 CA1 (0.53) CA1CA2LTA4HNR1H2BAX
SCHEMBL15156136 0.78 CA1 (0.55) CA1CA2LTA4HNR1H2BAX
SCHEMBL13857858 0.76 CA1 (0.53) CA1CA2LTA4HNR1H2BAX
SCHEMBL3790117 0.76 CA1 (0.53) CA1CA2LTA4HNR1H2BAX

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CA1 3273/4885CA2 1992/4885LTA4H 2263/4885

“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.