SCHEMBL3785563

SCHEMBL3785563

OB(O)c1c(Sc2ccccc2)cccc1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
DHFR P00374 1/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
ATM Q13315 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL3786749 0.78 SIRT1 (0.46) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3804714 0.76 SIRT1 (0.41) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL795029 0.75 SIRT1 (0.54) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3784638 0.75 SIRT1 (0.43) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL202114 0.75 SIRT1 (0.50) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3900082 0.73 SIRT1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3897205 0.73 SIRT1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3897215 0.73 SIRT1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL9557894 0.72 MAPT (0.50) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3904203 0.72 MAPT (0.50) SIRT1MAPTKDM4ENSD2MAPK1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 SIRT1 2959/4885MAPT 3312/4885KDM4E 2606/4885

“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.