SCHEMBL3780893

SCHEMBL3780893

CCOc1cc(Cl)cc(OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 3/20 0.39
ESR1 P03372 2/20 0.38
AHR P35869 1/20 0.38
SOD1 P00441 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 2/20 0.38
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 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
SCHEMBL1547677 0.95 MAPT (0.54) NQO1MAPTTSHRTDP1TP53
SCHEMBL16956758 0.86 MAPT (0.42) NQO1MAPTTSHRTDP1TP53
SCHEMBL1683212 0.86 NQO1 (0.65) NQO1MAPTTSHRTDP1TP53
SCHEMBL3794390 0.84 TP53 (0.52) NQO1MAPTTSHRTDP1TP53
SCHEMBL16956755 0.84 MAPT (0.41) NQO1MAPTTSHRTDP1TP53
SCHEMBL13384702 0.84 LTA4H (0.44) NQO1MAPTTSHRTDP1TP53
SCHEMBL6832377 0.84 MAPT (0.41) NQO1MAPT
SCHEMBL16770632 0.84 L3MBTL1 (0.43) NQO1MAPTTSHRTDP1KMT2A
SCHEMBL25468619 0.81 MAPT (0.39) NQO1MAPTTSHRTDP1TP53
SCHEMBL16957864 0.81 MAPT (0.39) NQO1MAPTTSHRTDP1KMT2A

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 NQO1 291/4885MAPT 3312/4885TSHR 1688/4885

“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.