SCHEMBL822953

SCHEMBL822953

Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Cc7ccc(-c8ccc(C)cc8S(=O)(=O)OCC(C)(C)C)c(S(=O)(=O)OCC(C)(C)C)c7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
BCHE P06276 4/20 0.33
ACHE P22303 4/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
GAA P10253 1/20 0.31
NR3C1 P04150 1/20 0.30
CA4 P22748 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL822941 0.95 HTT (0.45) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL822794 0.92 HTT (0.43) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL13598293 0.91 HTT (0.39) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL2696779 0.90 HTT (0.41) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL2695193 0.85 HTT (0.45) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL2695302 0.84 CA1 (0.36) HTTTDP1SMN1; SMN2BCHEACHE
SCHEMBL13598288 0.82 HTT (0.44) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL2695196 0.82 HTT (0.42) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL822855 0.82 HTT (0.56) HTTTDP1L3MBTL1SMN1; SMN2BCHE
SCHEMBL822860 0.80 SRD5A2 (0.35) HTTSMN1; SMN2KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 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 (4 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 HTT 1768/4885TDP1 4003/4885L3MBTL1 602/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 HTT 1789/4885TDP1 3931/4885L3MBTL1 2833/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 HTT 2006/4885TDP1 4012/4885L3MBTL1 2253/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR HTT 1087/4885TDP1 4605/4885L3MBTL1 3673/4885

“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.