SCHEMBL6788833

SCHEMBL6788833

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[C@H]2C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 2/20 0.34
▸ SMYD2 Q9NRG4 3/20 0.34
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL27588382 1.00 ALDH1A1 (0.38) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL867160 0.86 ALDH1A1 (0.38) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL8860952 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL4309745 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL19464883 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL866009 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL12936593 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL12277057 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL16707269 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL12803239 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4SMYD2HTTSMN1; SMN2

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-20040266723-A1 Antiviral agents for treatment of Flaviviridae infections PHARMASSET, INC. 2004-12-30 — — US disclosed
EP-1366055-A2 ANTIVIRAL AGENTS FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS Pharmasset Limited (BB) 2003-12-03 — — EP disclosed
WO-2002048165-A2 ANTIVIRAL AGENTS FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS PHARMASSET LTD. (BB) 2002-06-20 — — WO 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-20040266723-A1 Antiviral agents for treatment of Flaviviridae infections HAVCR2, MAVS, EIF2AK2 ALDH1A1 1227/4885CYP3A4 194/4885SMYD2 2617/4885

“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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