SCHEMBL11965635

SCHEMBL11965635

CC1(C)OC2C(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ GLB1 P16278 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL13194019 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL14929306 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL325079 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL12374613 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL11982565 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL16884139 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL12302343 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL1739854 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL24672314 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1
SCHEMBL8815319 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1GLB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242120-B2 Carbocyclic compounds and methods for treating emerging disease, including influenza and Venezuela equine encephalitis virus UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-08-14 — — US disclosed
US-20100144664-A1 CARBOCYCLIC COMPOUNDS AND METHODS FOR TREATING EMERGING DISEASE, INCLUDING INFLUENZA AND VENEZUELA EQUINE ENCEPHALITIS VIRUS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (GA) 2010-06-10 — — 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-20100144664-A1 CARBOCYCLIC COMPOUNDS AND METHODS FOR TREATING EMERGING DISEASE, INCLUDING INFLUENZA AND VENEZUELA EQUINE ENCEPHALITIS VIRUS HTR3C, APOBEC3C, CUL5 CA2 942/4885CA1 75/4885CA9 855/4885

“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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