SCHEMBL21889837

SCHEMBL21889837

C[Si](C)(C)CCOCn1nc(C2(F)CC2)nc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.46
DGAT1 O75907 2/20 0.44
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
MAOB P27338 5/20 0.39
PRMT5 O14744 3/20 0.38
PTGES O14684 1/20 0.38
IKBKE Q14164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21889839 0.84 AOC3 (0.45) AOC3DGAT1
SCHEMBL21889554 0.83 DGAT1 (0.45) DGAT1ENPP3ENPP1MAOBPTGES
SCHEMBL21889223 0.81 DGAT1 (0.46) AOC3DGAT1ENPP3ENPP1MAOB
SCHEMBL16661083 0.81 DGAT1 (0.46) DGAT1ENPP3ENPP1MAOBPTGES
SCHEMBL21889304 0.80 DGAT1 (0.45) AOC3DGAT1ENPP3ENPP1MAOB
SCHEMBL21889199 0.80 DGAT1 (0.45) AOC3DGAT1ENPP3ENPP1MAOB
SCHEMBL23590405 0.79 AOC3 (0.75) AOC3
SCHEMBL21889844 0.79 DGAT1 (0.44) DGAT1ENPP3ENPP1MAOBPRMT5
SCHEMBL21889821 0.79 DGAT1 (0.44) DGAT1ENPP3ENPP1MAOBPRMT5
SCHEMBL21889298 0.79 DGAT1 (0.44) DGAT1ENPP3ENPP1MAOBPRMT5

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-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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 (3 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 AOC3 53/4885DGAT1 3115/4885ENPP3 497/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885DGAT1 3115/4885ENPP3 497/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885DGAT1 3115/4885ENPP3 497/4885

“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.