SCHEMBL3605331

SCHEMBL3605331

COc1cccc(S[C@@H](c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)[C@@H](C)O)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
XBP1 P17861 1/20 0.31
ERN1 O75460 2/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 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
SCHEMBL3605328 1.00 HPGD (0.35) HPGDKDM4EALDH1A1LMNATP53
SCHEMBL10440004 0.67 MAPT (0.47) HPGDKDM4EALDH1A1LMNAMAPT
SCHEMBL2103658 0.67 NPY5R (0.32) KDM4EALDH1A1
SCHEMBL3606470 0.66 KDM4E (0.33) KDM4EALDH1A1LMNA
SCHEMBL3606473 0.66 KDM4E (0.33) KDM4EALDH1A1LMNA
SCHEMBL2099236 0.63 CNR1 (0.35) KDM4ELMNACYP3A4
SCHEMBL2565786 0.62 HSD17B10 (0.59) HPGDKDM4EALDH1A1LMNATP53
SCHEMBL4703946 0.62 P4HB (0.41) LMNAMAPT
SCHEMBL30724468 0.62 MEN1 (0.38) HPGDALDH1A1LMNAMAPTXBP1
SCHEMBL15974976 0.62 ESR2 (0.44) HPGDKDM4EALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 HPGD 3172/4885KDM4E 1777/4885ALDH1A1 1579/4885

“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.