SCHEMBL3784642

SCHEMBL3784642

Nc1scc(B(O)O)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.41
PRKCZ Q05513 1/20 0.41
MGLL Q99685 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
GRM6 O15303 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
SCHEMBL3804717 0.81 MAPT (0.44) MAPTALDH1A1LMNAHPGDMGLL
SCHEMBL3783959 0.76 MAPT (0.43) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8219401 0.74 ALDH1A1 (0.49) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL3799837 0.72 ALDH1A1 (0.47) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL1400375 0.71 MGLL (0.39) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL5078534 0.71 ALDH1A1 (0.40) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL3786148 0.68 GAA (0.54) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL5047784 0.66 MAPT (0.39) MAPTSMN1; SMN2
SCHEMBL358654 0.65 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HPGDMGLL
SCHEMBL3792808 0.65 ALDH1A1 (0.41) MAPTALDH1A1KMT2ALMNAMEN1

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 MAPT 3312/4885ALDH1A1 4339/4885KMT2A 1474/4885

“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.