SCHEMBL3579723

SCHEMBL3579723

CC(OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADRB3 P13945 1/20 0.41
FAAH O00519 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
F2 P00734 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALOX5 P09917 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CASR P41180 1/20 0.39
BCHE P06276 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL1827190 0.93 MEN1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL1826426 0.87 ADRB2 (0.41) ALDH1A1SMN1; SMN2ADRB3FAAHALOX5
SCHEMBL1828163 0.85 TDP1 (0.49) ALDH1A1SMN1; SMN2TDP1ALOX5L3MBTL1
SCHEMBL1827290 0.83 ADRB3 (0.42) ALDH1A1SMN1; SMN2ADRB3FAAHSPHK2
SCHEMBL1823249 0.82 SGMS2 (0.44) ALDH1A1SMN1; SMN2ADRB3FAAHSPHK2
SCHEMBL1825480 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ADRB3TDP1L3MBTL1
SCHEMBL1823272 0.82 FAAH (0.44) ALDH1A1SMN1; SMN2ADRB3FAAHSPHK2
SCHEMBL2838939 0.81 ALOX5 (0.47) ALDH1A1SMN1; SMN2ADRB3FAAHSPHK2
SCHEMBL1825347 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ADRB3FAAHF2
SCHEMBL1825151 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ADRB3TDP1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ALDH1A1 1099/4885SMN1; SMN2 2274/4885ADRB3 1280/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885ADRB3 1134/4885

“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.