SCHEMBL15660928

SCHEMBL15660928

CC1(C)O[C@@H]([C@@H]2OC(C)(C)O[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@@H](CO)O1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PI4KA P42356 1/20 0.30
▸ PI4K2B Q8TCG2 1/20 0.30
▸ PI4K2A Q9BTU6 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL15661135 1.00 CYP3A4 (0.32) CYP3A4MAPTHPGDALDH1A1PI4KA
SCHEMBL15657817 1.00 CYP3A4 (0.32) CYP3A4MAPTHPGDALDH1A1PI4KA
SCHEMBL24672314 0.89 CA2 (0.35) CYP3A4MAPTHPGDALDH1A1PI4KA
SCHEMBL13191781 0.89 CA2 (0.35) CYP3A4MAPTHPGDALDH1A1PI4KA
SCHEMBL8815319 0.89 CA2 (0.35) CYP3A4MAPTHPGDALDH1A1PI4KA
SCHEMBL17627244 0.89 CYP3A4 (0.34) CYP3A4MAPTHPGD
SCHEMBL897160 0.89 CYP3A4 (0.34) CYP3A4MAPTHPGD
SCHEMBL6825515 0.89 CYP3A4 (0.34) CYP3A4MAPTHPGD
SCHEMBL15659482 0.89 CYP3A4 (0.34) CYP3A4MAPTHPGD
SCHEMBL898414 0.89 CYP3A4 (0.34) CYP3A4MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828406-B2 Antitumor agent KINKI UNIVERSITY (JP) 2017-11-28 — — US disclosed
EP-2716293-B1 ANTI-TUMOR AGENT UNIV KINKI (JP) 2017-09-06 — — EP disclosed
US-20140121175-A1 ANTITUMOR AGENT KINKI UNIVERSITY (JP) 2014-05-01 — — 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-20140121175-A1 ANTITUMOR AGENT UGCG, MAN1B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP3A4 4699/4885MAPT 4633/4885HPGD 3052/4885

“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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