SCHEMBL2103658

SCHEMBL2103658

CC(Sc1ccccc1O)C(O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.32
P4HB P07237 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2099236 0.80 CNR1 (0.35) P4HBKDM4E
SCHEMBL4703946 0.77 P4HB (0.41) P4HB
SCHEMBL2102887 0.75 ADORA2A (0.36) NPY5RP4HBALDH1A1
SCHEMBL2101678 0.74 ALDH1A1 (0.41) KDM4EALDH1A1
SCHEMBL3606473 0.73 KDM4E (0.33) NPY5RKDM4EALDH1A1
SCHEMBL3606470 0.73 KDM4E (0.33) NPY5RKDM4EALDH1A1
SCHEMBL2100073 0.72 POLB (0.38) P4HBALDH1A1
SCHEMBL2102383 0.69 RAB9A (0.49) KDM4EALDH1A1
SCHEMBL9198990 0.67 GABRA1 (0.44) P4HBKDM4EALDH1A1
SCHEMBL3605331 0.67 HPGD (0.35) KDM4EALDH1A1

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-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
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 NPY5R 46/4885P4HB 1226/4885KDM4E 1777/4885

“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.