SCHEMBL21973055

SCHEMBL21973055

CC[Si](CC)(CC)OC1Cc2c(OC)cc3c(c2C[C@@]1(C)CCC=O)COC3=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.34
▸ TOP2A P11388 1/20 0.32
▸ 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
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 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
SCHEMBL21973053 0.87 IMPDH1 (0.39) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21973054 0.86 CYP3A4 (0.33) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21972847 0.85 CYP3A4 (0.33) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21973049 0.73 IMPDH1 (0.35) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21972842 0.72 FNTA (0.34) CYP3A4
SCHEMBL21973051 0.72 ALOX5 (0.34) —
SCHEMBL21973223 0.70 — —
SCHEMBL6200978 0.62 CYP3A4 (0.53) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL8684158 0.59 CYP3A4 (0.57) CYP3A4TOP2APDE1APDE1BPDE3B
SCHEMBL21973052 0.58 POLB (0.46) CYP3A4PDE1APDE1BPDE3BPDE1C

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 276/4885TOP2A 1484/4885PDE1A 4848/4885

“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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