SCHEMBL2697429

SCHEMBL2697429

Cc1ccc(Cc2ccc(C)c(S(=O)(=O)OCC(C)(C)C)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ESR2 Q92731 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KCNH2 Q12809 1/20 0.36
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SRD5A2 P31213 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2695193 0.88 HTT (0.45) POLBESR2RECQLHTTALDH1A1
SCHEMBL2695302 0.86 CA1 (0.36) POLBESR2RECQLHTTALDH1A1
SCHEMBL2695196 0.85 HTT (0.42) HTTALDH1A1MAPTKMT2ACA2
SCHEMBL9914260 0.85 ALDH1A1 (0.47) HTTALDH1A1KDM4EF2MAPT
SCHEMBL2696779 0.84 HTT (0.41) POLBESR2RECQLHTTALDH1A1
SCHEMBL13058900 0.82 SRD5A2 (0.39) HTTALDH1A1KMT2ASMN1; SMN2SRD5A2
SCHEMBL14010615 0.82 POLB (0.39) POLBESR2RECQLHTTALDH1A1
SCHEMBL14010614 0.80 CA1 (0.37) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL822941 0.76 HTT (0.45) HTTALDH1A1KDM4EMAPTKMT2A
SCHEMBL12565336 0.76 ALDH1A1 (0.37) HTTALDH1A1KDM4EF2MAPT

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-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-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 POLB 2820/4885ESR2 1656/4885RECQL 3165/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 POLB 3351/4885ESR2 1520/4885RECQL 2493/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 POLB 1524/4885ESR2 1371/4885RECQL 1157/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR POLB 3306/4885ESR2 2265/4885RECQL 4083/4885

“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.