SCHEMBL13858946

SCHEMBL13858946

CC(C)N1CCCC(CO)(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
ALDH1A1 P00352 4/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL20147413 0.82 MEN1 (0.69) GAAALDH1A1POLBRAB9AKMT2A
SCHEMBL24838582 0.78 KMT2A (0.49) GAAALDH1A1POLBKMT2AMEN1
SCHEMBL29017338 0.77 ALDH1A1 (0.79) GAAALDH1A1POLBKMT2AMEN1
SCHEMBL13858960 0.77 KDM4E (0.46) GAAALDH1A1POLBNPC1RAB9A
SCHEMBL4904341 0.75 GAA (0.52) GAAALDH1A1POLBNPC1RAB9A
SCHEMBL4896945 0.75 GAA (0.52) GAAALDH1A1POLBNPC1RAB9A
SCHEMBL20148004 0.74 MEN1 (0.66) GAAALDH1A1POLBRAB9AKMT2A
SCHEMBL20008961 0.74 OPRL1 (0.61) ALDH1A1KMT2AMEN1
SCHEMBL27337753 0.73 GAA (0.51) GAAALDH1A1POLBNPC1RAB9A
SCHEMBL4896837 0.73 GAA (0.51) GAAALDH1A1POLBNPC1RAB9A

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-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 GAA 339/4885ALDH1A1 2101/4885POLB 1083/4885

“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.