SCHEMBL822871

SCHEMBL822871

CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(C)ccc2-c2ccc(Cc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MMP13 P45452 4/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MCHR1 Q99705 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GAA P10253 2/20 0.32
KCNH2 Q12809 2/20 0.32
CNR2 P34972 1/20 0.32
TBXA2R P21731 1/20 0.32
CTRC Q99895 1/20 0.32
MMP3 P08254 1/20 0.31
NR3C1 P04150 1/20 0.31
MMP1 P03956 1/20 0.31
CYP2C9 P11712 2/20 0.31

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
SCHEMBL822658 0.97 HTT (0.41) HTTL3MBTL1TDP1SMN1; SMN2MMP13
SCHEMBL822857 0.94 HTT (0.38) HTTL3MBTL1TDP1SMN1; SMN2MMP13
SCHEMBL822657 0.79 SRD5A2 (0.34) HTTL3MBTL1SMN1; SMN2MMP13LMNA
SCHEMBL822660 0.75 HTT (0.44) HTTL3MBTL1TDP1SMN1; SMN2MCHR1
SCHEMBL822854 0.75 HTT (0.69) HTTL3MBTL1TDP1SMN1; SMN2MMP2
SCHEMBL13321724 0.75 HTT (0.69) HTTL3MBTL1TDP1SMN1; SMN2MMP2
SCHEMBL26050718 0.75 CNR1 (0.40) HTTSMN1; SMN2MMP13MMP2MMP9
SCHEMBL19442933 0.75 CNR1 (0.40) HTTSMN1; SMN2MMP13MMP2MMP9
SCHEMBL2695288 0.74 POLB (0.31) POLB
SCHEMBL2696572 0.74 CNR1 (0.32) CNR2

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 1768/4885L3MBTL1 602/4885TDP1 4003/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 HTT 1789/4885L3MBTL1 2833/4885TDP1 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 2006/4885L3MBTL1 2253/4885TDP1 4012/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR HTT 1087/4885L3MBTL1 3673/4885TDP1 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.