SCHEMBL21972847

SCHEMBL21972847

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ PDE3A Q14432 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
SCHEMBL21973049 0.86 IMPDH1 (0.35) CYP3A4FNTAFNTBTOP2APDE1A
SCHEMBL21973051 0.86 ALOX5 (0.34) —
SCHEMBL21972842 0.85 FNTA (0.34) CYP3A4FNTAFNTB
SCHEMBL21973055 0.85 CYP3A4 (0.34) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21973223 0.84 — —
SCHEMBL21973053 0.72 IMPDH1 (0.39) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21973054 0.72 CYP3A4 (0.33) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21972849 0.68 ALOX5 (0.35) —
SCHEMBL21973056 0.65 ALOX5 (0.38) —
SCHEMBL29861923 0.63 FNTA (0.37) CYP3A4FNTAFNTBPDE1APDE1B

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 CYP3A4 276/4885FNTA 482/4885FNTB 191/4885

“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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