SCHEMBL822654

SCHEMBL822654

CCCCCCCCCCOc1cc(Cc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(C)cc7)cc6)cc5)cc4)cc3)cc2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.36
S1PR1 P21453 2/20 0.36
NR1I2 O75469 1/20 0.35
PPARA Q07869 3/20 0.34
ESR1 P03372 2/20 0.34
S1PR3 Q99500 2/20 0.34
TBXA2R P21731 2/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL822660 0.93 HTT (0.44) HTTSMN1; SMN2TDP1L3MBTL1KCNH2
SCHEMBL822656 0.90 HTT (0.41) HTTSMN1; SMN2TDP1L3MBTL1KCNH2
SCHEMBL822855 0.81 HTT (0.56) HTTSMN1; SMN2TDP1L3MBTL1S1PR1
SCHEMBL822857 0.78 HTT (0.38) HTTSMN1; SMN2TDP1L3MBTL1KCNH2
SCHEMBL13244011 0.78 HTT (0.52) HTTSMN1; SMN2TDP1L3MBTL1S1PR1
SCHEMBL13407566 0.77 HTT (0.62) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL2696779 0.76 HTT (0.41) HTTSMN1; SMN2TDP1L3MBTL1KCNH2
SCHEMBL13670317 0.76 HTT (0.55) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL14477641 0.76 HTT (0.55) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL14417709 0.75 HTT (0.44) HTTSMN1; SMN2TDP1L3MBTL1

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.