SCHEMBL822855

SCHEMBL822855

Cc1ccc(Cc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 4/20 0.46
ACHE P22303 4/20 0.46
GAA P10253 1/20 0.46
NR3C1 P04150 1/20 0.40
ALDH1A1 P00352 2/20 0.40
FFAR1 O14842 1/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
MMP13 P45452 1/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL13244011 0.96 HTT (0.52) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL13407566 0.95 HTT (0.62) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL822791 0.91 HTT (0.67) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL14299858 0.91 GAA (0.55) HTTSMN1; SMN2TDP1BCHEACHE
SCHEMBL12769543 0.91 HTT (0.67) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL13670317 0.90 HTT (0.55) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL14477641 0.90 HTT (0.55) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL13321724 0.89 HTT (0.69) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL822854 0.89 HTT (0.69) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL22078495 0.88 TEAD4 (0.44) HTTSMN1; SMN2TDP1ALDH1A1MEN1

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 6 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

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 1768/4885SMN1; SMN2 2997/4885TDP1 4003/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 HTT 1789/4885SMN1; SMN2 3838/4885TDP1 3931/4885
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 2006/4885SMN1; SMN2 4123/4885TDP1 4012/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR HTT 1087/4885SMN1; SMN2 2455/4885TDP1 4605/4885

“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.