SCHEMBL822648

SCHEMBL822648

Cc1ccc(-c2ccc(C)cc2S(=O)(=O)OCC(C)C)c(S(=O)(=O)OCC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ELANE P08246 1/20 0.38
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
F2 P00734 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.33
NQO1 P15559 1/20 0.33
POR P16435 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13058873 0.91 ALDH1A1 (0.35) ALDH1A1CYP2C19MAOAMAOBELANE
SCHEMBL14010620 0.87 ALDH1A1 (0.46) ALDH1A1CYP2C19KMT2AMAPTKDM4E
SCHEMBL197303 0.82 TSHR (0.37) ALDH1A1KMT2AMAPTHTTMEN1
SCHEMBL196859 0.82 TSHR (0.37) ALDH1A1MAPTHTTTSHRLMNA
SCHEMBL13598288 0.79 HTT (0.44) ALDH1A1CYP2C19KMT2AMAPTKDM4E
SCHEMBL822650 0.78 KMT2A (0.37) ALDH1A1CYP2C19MAOAMAOBELANE
SCHEMBL822789 0.77 MAOA (0.42) ALDH1A1CYP2C19MAOAMAOBELANE
SCHEMBL20370949 0.77 ALDH1A1 (0.46) ALDH1A1CYP2C19KMT2AMAPTKDM4E
SCHEMBL777474 0.75 GAA (0.45) ALDH1A1CYP2C19KMT2AMEN1TSHR
SCHEMBL16048004 0.74 ALDH1A1 (0.41) ALDH1A1MAPTXBP1HTTTSHR

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 8 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-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 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-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
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 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 ALDH1A1 46/4885CYP2C19 142/4885MAOA 62/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 ALDH1A1 974/4885CYP2C19 141/4885MAOA 278/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ALDH1A1 1092/4885CYP2C19 157/4885MAOA 489/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R ALDH1A1 1881/4885CYP2C19 214/4885MAOA 841/4885

“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.