SCHEMBL18535303

SCHEMBL18535303

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL6223870 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL10131262 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL6841285 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL13191782 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL1738672 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL12374614 1.00 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL24672314 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL8815319 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL13191781 0.85 CA2 (0.35) CA2CA1CA9ALDH1A1
SCHEMBL24687709 0.83 CA2 (0.35) CA2CA1CA9ALDH1A1

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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 — — US disclosed
EP-3133080-B1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2018-08-01 — — EP disclosed
EP-3133080-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2017-02-22 — — EP 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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A CA2 3840/4885CA1 2846/4885CA9 4472/4885

“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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