SCHEMBL13266246

SCHEMBL13266246

CCC(C)(Cl)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(OC(C)(CC)c4ccc(S(=O)(=O)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ HSD11B1 P28845 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ PGR P06401 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL12113475 0.97 CYP3A4 (0.36) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL823268 0.94 CYP3A4 (0.43) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL13266241 0.93 PPARA (0.44) CYP3A4MAPK1MMP1HSD11B1SMN1; SMN2
SCHEMBL12113474 0.92 HSD11B1 (0.36) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL12113481 0.92 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL13266242 0.90 HSD11B1 (0.35) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL11926920 0.88 ALDH1A1 (0.42) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL10163904 0.87 CYP3A4 (0.36) CYP3A4ALDH1A1MAPK1MMP1HSD11B1
SCHEMBL16361394 0.86 CYP3A4 (0.41) CYP3A4ALDH1A1MAPK1HSD11B1HTT
SCHEMBL823270 0.86 PPARA (0.48) CYP3A4MAPK1MMP1HSD11B1SMN1; SMN2

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 CYP3A4 135/4885ALDH1A1 1092/4885MAPK1 744/4885

“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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