SCHEMBL13618457

SCHEMBL13618457

O=COCOCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
GBA2 Q9HCG7 7/20 0.35
GBA1 P04062 4/20 0.33
TSHR P16473 1/20 0.32
UGCG Q16739 3/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL5547697 0.84 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL4806332 0.81 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL3913351 0.79 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL5095244 0.76 GRIN2D (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL13094610 0.74 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL1439504 0.74 NPSR1 (0.38) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL5539068 0.72 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL10299390 0.70 ALDH1A1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL4803060 0.70 MEN1 (0.37) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL2739905 0.70 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1

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-20090272295-A1 Coating Materials Consisting of Low- or Medium-Molecular Organic Compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2009-11-05 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-20090272295-A1 Coating Materials Consisting of Low- or Medium-Molecular Organic Compounds OXGR1, OXER1, BHMT2 CA12 57/4885CA1 150/4885CA2 470/4885

“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.