SCHEMBL3789310

SCHEMBL3789310

CCOc1ccc(Cl)c(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
XBP1 P17861 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL13425464 0.88 ALDH1A1 (0.49) NQO1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL14237506 0.85 NQO1 (0.45) NQO1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL3786617 0.83 NQO1 (0.52) NQO1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL1548013 0.83 KDM4E (0.58) NQO1KDM4ETSHRALDH1A1KMT2A
SCHEMBL17912835 0.81 NQO1 (0.45) NQO1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL17912805 0.81 NQO1 (0.45) NQO1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL29483410 0.81 TSHR (0.50) KDM4ETSHRALDH1A1KMT2ALMNA
SCHEMBL1311327 0.81 TSHR (0.50) KDM4ETSHRALDH1A1KMT2ALMNA
SCHEMBL11591569 0.81 ALDH1A1 (0.49) L3MBTL1TSHRALDH1A1KMT2ALMNA
SCHEMBL11590933 0.81 KMT2A (0.50) KDM4ETSHRALDH1A1KMT2AMAPT

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 291/4885KDM4E 2606/4885L3MBTL1 3838/4885

“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.