SCHEMBL21973049

SCHEMBL21973049

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH1 P20839 6/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ IMPDH2 P12268 8/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ UGT2B7 P16662 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ TOP2A P11388 1/20 0.30
▸ ST6GAL1 P15907 2/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE1C Q14123 1/20 0.30

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
SCHEMBL21972842 0.92 FNTA (0.34) IMPDH1FNTAFNTBIMPDH2CYP3A4
SCHEMBL21972847 0.86 CYP3A4 (0.33) FNTAFNTBCYP3A4TOP2APDE1A
SCHEMBL21973053 0.84 IMPDH1 (0.39) IMPDH1IMPDH2CYP3A4HSD17B10TOP2A
SCHEMBL21973051 0.83 ALOX5 (0.34) IMPDH2
SCHEMBL21973054 0.76 CYP3A4 (0.33) IMPDH1IMPDH2CYP3A4TOP2APDE1A
SCHEMBL21973055 0.73 CYP3A4 (0.34) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21973223 0.70 — —
SCHEMBL21972849 0.64 ALOX5 (0.35) —
SCHEMBL21973056 0.63 ALOX5 (0.38) —
SCHEMBL29861923 0.62 FNTA (0.37) FNTAFNTBIMPDH2CYP3A4KDM4E

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 IMPDH1 1392/4885FNTA 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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