SCHEMBL13266249

SCHEMBL13266249

CCCC(C)(Cl)c1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OC(C)(CC)c5ccc(S(=O)(=O)c6ccc(Cl)cc6)cc5)cccc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.35
▸ CNR2 P34972 1/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ RHEB Q15382 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL13602273 0.96 MCL1 (0.35) MCL1CNR2HSD11B1KMT2AALDH1A1
SCHEMBL13602275 0.95 MCL1 (0.35) MCL1CNR2HSD11B1RHEBKMT2A
SCHEMBL13266244 0.83 MAPT (0.39) MCL1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL13266248 0.83 PPARA (0.40) MCL1RHEBKMT2AALDH1A1POLB
SCHEMBL13329235 0.83 HTT (0.40) MCL1CNR2HSD11B1KMT2AALDH1A1
SCHEMBL13266189 0.80 HTT (0.43) MCL1HSD11B1KMT2AALDH1A1TDP1
SCHEMBL13602257 0.79 HTT (0.43) MCL1HSD11B1ALDH1A1TDP1MAPT
SCHEMBL13266246 0.78 CYP3A4 (0.38) CNR2HSD11B1KMT2AALDH1A1POLB
SCHEMBL823268 0.77 CYP3A4 (0.43) CNR2HSD11B1KMT2AALDH1A1POLB
SCHEMBL13266196 0.76 HTT (0.46) HSD11B1ALDH1A1TDP1MAPTHTT

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 MCL1 223/4885CNR2 3646/4885HSD11B1 3196/4885

“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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