SCHEMBL1889324

SCHEMBL1889324

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc3cc(O)ccc3c2)n1COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CHEK2 O96017 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TSHR P16473 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL12661150 0.92 ALDH1A1 (0.37) ALDH1A1CHEK2L3MBTL1HDAC8TSHR
SCHEMBL933654 0.91 CHEK2 (0.36) ALDH1A1CHEK2L3MBTL1HDAC8TSHR
SCHEMBL933350 0.91 ESR2 (0.35)
SCHEMBL1888828 0.90 DGAT1 (0.36) ALDH1A1CHEK2L3MBTL1KDM4ENPC1
SCHEMBL1887118 0.88 CHEK2 (0.38) ALDH1A1CHEK2L3MBTL1HDAC8TSHR
SCHEMBL12661185 0.88 HDAC8 (0.35) ALDH1A1CHEK2L3MBTL1KDM4ENPC1
SCHEMBL934266 0.88 USP30 (0.37) ALDH1A1CHEK2L3MBTL1KDM4ENPC1
SCHEMBL1886158 0.87 ALDH1A1 (0.35) ALDH1A1CHEK2L3MBTL1TSHRMEN1
SCHEMBL9281762 0.87 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1TSHRMEN1
SCHEMBL1888626 0.86 DGAT1 (0.37) ALDH1A1CHEK2L3MBTL1KDM4ENPC1

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-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS ALDH1A1 557/4885CHEK2 3724/4885L3MBTL1 3963/4885

“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.