SCHEMBL13850462

SCHEMBL13850462

CCOCCC1CCC(C(C)C)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ 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
SCHEMBL6683122 0.90 — —
SCHEMBL14479645 0.85 — —
SCHEMBL11883250 0.79 HCRTR2 (0.30) —
SCHEMBL16191041 0.78 — —
SCHEMBL23622999 0.78 — —
SCHEMBL3160536 0.78 — —
SCHEMBL20192222 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3025233 0.76 CYP1A2 (0.46) ALDH1A1
SCHEMBL18900843 0.76 CYP1A2 (0.36) ALDH1A1
SCHEMBL12461290 0.76 — —

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-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 — — 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS CHRM2 4336/4885CHRM1 4624/4885ALDH1A1 731/4885

“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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