SCHEMBL336062

SCHEMBL336062

COc1c(C(C)(C)C)ccc(C(C)=O)c1O[SiH](C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
TNFRSF1A P19438 2/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RARG P13631 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
IDO1 P14902 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL27779117 0.78 NR1H4 (0.31) NR1H4
SCHEMBL9368818 0.76 AHR (0.37) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL3856121 0.74 NFE2L2 (0.43) ALDH1A1TNFRSF1AMEN1KMT2AMAPT
SCHEMBL2447577 0.74 ALOX5AP (0.33) TNFRSF1AALOX5APFEN1
SCHEMBL1620557 0.74 CA1 (0.39) ALDH1A1TNFRSF1AKDM4ETDP1TSHR
SCHEMBL3857504 0.74
SCHEMBL3861970 0.74 NFE2L2 (0.32) TNFRSF1A
SCHEMBL8520393 0.73 POLB (0.42) NR1H4TNFRSF1ARXRAGAAEPHX2
SCHEMBL12098191 0.73 TNFRSF1A (0.40) NR1H4ALDH1A1HPGDMAPK1TNFRSF1A
SCHEMBL7687187 0.72 NPC1 (0.36) EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 NR1H4 2058/4885ALDH1A1 1939/4885CYP3A4 1107/4885

“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.