SCHEMBL17494783

SCHEMBL17494783

C=CC(O)c1ccc(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
USP14 P54578 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL19180264 0.78 BACE1 (0.33) BACE1
SCHEMBL19180882 0.76
SCHEMBL5373425 0.76 MEN1 (0.49) BACE1MEN1ALDH1A1KMT2A
SCHEMBL17494744 0.75 TDP1 (0.41) BACE1USP14KDM4EMEN1ALDH1A1
SCHEMBL22678373 0.74 MRGPRX4 (0.38) BACE1USP14MEN1ALDH1A1KMT2A
SCHEMBL8936718 0.73 NOS3 (0.36) BACE1USP14MEN1ALDH1A1KMT2A
SCHEMBL22517612 0.73 KDM5A (0.40) BACE1USP14MEN1KMT2A
SCHEMBL4996802 0.73 IDO1 (0.38) BACE1USP14MEN1ALDH1A1KMT2A
SCHEMBL29383016 0.73 NOS3 (0.36) BACE1USP14MEN1ALDH1A1KMT2A
SCHEMBL8936707 0.72 CYP19A1 (0.40) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177287-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
US-10968193-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
EP-3177287-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 EP disclosed
WO-2016022742-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO 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 (2 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-10968193-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R BACE1 3392/4885USP14 4469/4885KDM4E 3801/4885
US-20170217918-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GLP1R, GPR65 BACE1 3457/4885USP14 4449/4885KDM4E 3770/4885

“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.