SCHEMBL10270380

SCHEMBL10270380

CO[C@@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@@]23C(C)[C@H]3OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@@H](N2CCOCC2)[C@@H]1N(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
ABCC4 O15439 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP3A5 P20815 1/20 0.65
PTGS1 P23219 1/20 0.65
CYP3A7 P24462 1/20 0.65
KCNH2 Q12809 1/20 0.65
CYP3A43 Q9HB55 1/20 0.65
SLCO1B3 Q9NPD5 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 0.65
HDAC8 Q9BY41 13/20 0.38
HDAC6 Q9UBN7 13/20 0.38
HDAC1 Q13547 10/20 0.38
PDE4A P27815 1/20 0.37
HDAC3 O15379 5/20 0.36
HDAC4 P56524 5/20 0.36
HDAC7 Q8WUI4 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC10 Q969S8 5/20 0.36
HDAC11 Q96DB2 5/20 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
SCHEMBL10219039 0.92 CYP3A4 (0.78) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL13655585 0.82 CYP3A4 (0.61) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL799508 0.82 CYP3A4 (0.61) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL14625955 0.81 CYP3A4 (0.73) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL799164 0.81 CYP3A4 (0.58) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL14625966 0.81 CYP3A4 (0.72) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL13655659 0.80 CYP3A4 (0.59) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL14626124 0.80 CYP3A4 (0.71) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL14625970 0.80 CYP3A4 (0.71) CYP3A4ABCC4ABCB11CYP3A5PTGS1
SCHEMBL14626514 0.80 CYP3A4 (0.71) CYP3A4ABCC4ABCB11CYP3A5PTGS1

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-8124744-B2 Macrolide derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-20090076253-A1 MACROLIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-03-19 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-20090076253-A1 MACROLIDE DERIVATIVES MMP9, MMP2, MMP11 CYP3A4 1429/4885ABCC4 1042/4885ABCB11 482/4885

“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.