SCHEMBL13266196

SCHEMBL13266196

CCC(C)(Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc12)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ NR1I2 O75469 9/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL13266189 0.96 HTT (0.43) HTTSMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL13328975 0.93 HTT (0.45) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL13602257 0.90 HTT (0.43) HTTSMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL13329235 0.86 HTT (0.40) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL13167686 0.83 BCHE (0.51) HTTSMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL13243767 0.81 HSD11B1 (0.37) HTTSMN1; SMN2TDP1L3MBTL1BCHE
SCHEMBL13602273 0.80 MCL1 (0.35) HTTSMN1; SMN2TDP1HSD11B1MAPT
SCHEMBL822840 0.80 HTT (0.70) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL13181443 0.78 MCL1 (0.45) HTTSMN1; SMN2LMNAHSD11B1MAPT
SCHEMBL14364714 0.78 HTT (0.38) HTTSMN1; SMN2TDP1L3MBTL1LMNA

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 2 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-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 (1 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-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

“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.

Send feedback