SCHEMBL1826047

SCHEMBL1826047

CC(C)(C)C(OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADAMTS4 O75173 1/20 0.40
AOC3 Q16853 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.38
ENPP3 O14638 3/20 0.38
ENPP1 P22413 3/20 0.38
P2RX7 Q99572 6/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
ENPP2 Q13822 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 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
SCHEMBL1824956 0.93 P2RX7 (0.45) MAPTALDH1A1P2RX7AR
SCHEMBL1828203 0.87 AOC3 (0.40) NPC1RAB9AAOC3SMN1; SMN2ALDH1A1
SCHEMBL1822691 0.83 TDP1 (0.47) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1828163 0.83 TDP1 (0.49) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1824462 0.82 TDP1 (0.51) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1826652 0.79 TDP1 (0.48) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1827324 0.79 TDP1 (0.44) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1826813 0.78 TDP1 (0.47) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1825822 0.78 TDP1 (0.47) TDP1MAPTNPC1RAB9AADAMTS4
SCHEMBL1822250 0.78 TDP1 (0.47) TDP1MAPTNPC1RAB9AADAMTS4

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 4712/4885NPC1 928/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TDP1 4702/4885MAPT 2237/4885NPC1 707/4885

“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.