SCHEMBL1884887

SCHEMBL1884887

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4nccnc4-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)n4COCC[Si](C)(C)C)ccc3c2)n1COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CHEK2 O96017 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
TSHR P16473 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
JAK2 O60674 2/20 0.33
USP30 Q70CQ3 2/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL1887118 0.90 CHEK2 (0.38) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL12661150 0.90 ALDH1A1 (0.37) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL1884892 0.89 CHEK2 (0.31) CHEK2GPR119
SCHEMBL12661239 0.89 ALDH1A1 (0.36) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL1888626 0.89 DGAT1 (0.37) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL9281762 0.88 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1890280 0.88 TSHR (0.37) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL932607 0.87 CHEK2 (0.36) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL12661219 0.87 GPR119 (0.36) ALDH1A1CHEK2HDAC8TSHRLMNA
SCHEMBL12661149 0.87 GPR119 (0.36) ALDH1A1CHEK2HDAC8TSHRLMNA

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-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 3724/4885HDAC8 2784/4885

“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.