SCHEMBL1827576

SCHEMBL1827576

CC(C)(C)C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
MAPT P10636 5/20 0.47
MAOB P27338 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADAMTS4 O75173 1/20 0.46
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALPL P05186 1/20 0.40

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
SCHEMBL1827936 0.91 ALDH1A1 (0.53) TDP1MAPTADAMTS4CA12CA2
SCHEMBL1827121 0.84 ALDH1A1 (0.41) MAPTCA12CA2ALDH1A1MEN1
SCHEMBL1826868 0.83 TDP1 (0.53) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1826355 0.83 TDP1 (0.56) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1826108 0.82 TDP1 (0.59) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1824462 0.82 TDP1 (0.51) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL3838524 0.82 TDP1 (0.62) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1824852 0.81 TDP1 (0.57) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1826030 0.79 TDP1 (0.56) TDP1MAPTMAOBNPC1RAB9A
SCHEMBL1822882 0.79 ALDH1A1 (0.45) TDP1MAPTALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP 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 TDP1 4543/4885MAPT 4712/4885MAOB 334/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TDP1 4702/4885MAPT 2237/4885MAOB 107/4885

“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.