SCHEMBL13266188

SCHEMBL13266188

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MMP13 P45452 4/20 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
SCHEMBL13082581 0.96 MCL1 (0.40) MCL1ELANEMAPK1ALDH1A1HTT
SCHEMBL13082580 0.92 MCL1 (0.40) MCL1ELANEMAPK1ALDH1A1HTT
SCHEMBL12464121 0.87 ELANE (0.41) MCL1ELANELMNANPC1POLB
SCHEMBL13329235 0.82 HTT (0.40) MCL1ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL13266248 0.82 PPARA (0.40) MCL1ELANEMAPK1ALDH1A1HTT
SCHEMBL822847 0.78 LMNA (0.53) ELANEMAPK1ALDH1A1HTTKMT2A
SCHEMBL13602257 0.78 HTT (0.43) MCL1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL10227068 0.76 NPC1 (0.42) ELANEMAPK1ALDH1A1HTTKMT2A
SCHEMBL13670319 0.75 ESR1 (0.50) MAPK1ALDH1A1HTTKMT2ALMNA
SCHEMBL13818910 0.75 SRD5A2 (0.55) ELANEKMT2ANPC1POLBCYP2C9

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 223/4885ELANE 4822/4885MAPK1 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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