SCHEMBL21973051

SCHEMBL21973051

CC[Si](CC)(CC)OC1Cc2c(OC)cc3c(c2O[C@@]1(C)CC/C=C(\C)CCC=C(C)C)COC3=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.34
▸ ELANE P08246 3/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ IMPDH2 P12268 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
SCHEMBL21972847 0.86 CYP3A4 (0.33) —
SCHEMBL21973049 0.83 IMPDH1 (0.35) IMPDH2
SCHEMBL21972842 0.82 FNTA (0.34) IMPDH2
SCHEMBL21972849 0.82 ALOX5 (0.35) ALOX5ELANEPTGS2ACHEBCHE
SCHEMBL21973056 0.81 ALOX5 (0.38) ALOX5ELANEPTGS2ACHEBCHE
SCHEMBL908611 0.76 ST6GAL1 (0.41) ALOX5PTGS2
SCHEMBL21972848 0.75 ALOX5 (0.39) ALOX5
SCHEMBL21973055 0.72 CYP3A4 (0.34) —
SCHEMBL16408430 0.71 ALOX5 (0.38) ALOX5ELANEPTGS2
SCHEMBL16408429 0.71 APP (0.41) ALOX5

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-20200140450-A1 CHEMICAL METHOD OF PRODUCING SMTP GROUPS OR SMTP-7 AND INTERMEDIATES USED IN THE METHOD SHOWA UNIVERSITY (JP) 2020-05-07 — — 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-20200140450-A1 CHEMICAL METHOD OF PRODUCING SMTP GROUPS OR SMTP-7 AND INTERMEDIATES USED IN THE METHOD TST, SMS, TMSB4X ALOX5 4654/4885ELANE 4624/4885PTGS2 3082/4885

“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.

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