SCHEMBL2404074

SCHEMBL2404074

CC(C)C(Cl)OCC12CC3CC(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 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A2 O15244 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL11911870 0.80 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL11950508 0.80 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL104842 0.79 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL10075596 0.76 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL775356 0.74 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL14094017 0.73 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL2739871 0.73 LMNA (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL14461662 0.72 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL14461665 0.72 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL27437204 0.70 ALDH1A1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791290-B2 Acetal compound, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110236831-A1 ACETAL COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-09-29 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-20110236831-A1 ACETAL COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS ADH1A, ADH1C, ADH5 CA12 162/4885CA1 19/4885CA2 1875/4885

“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.