SCHEMBL13266243

SCHEMBL13266243

CCC(Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 2/20 0.42
▸ CNR1 P21554 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36

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
SCHEMBL13266187 0.96 HTT (0.56) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13668721 0.95 HTT (0.48) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL14036502 0.92 GAA (0.50) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13266190 0.88 HTT (0.48) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13668609 0.88 HTT (0.48) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13082579 0.88 HTT (0.48) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL16361395 0.86 BCHE (0.48) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13266247 0.85 HTT (0.50) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL18995785 0.83 BCHE (0.45) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13427514 0.82 HTT (0.47) HTTSMN1; SMN2TDP1L3MBTL1CNR1

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.

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