SCHEMBL1029293

SCHEMBL1029293

CC(C)(C)N(C(=O)O)c1ccc2c(c1)CCC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 11/20 0.42
RAB9A P51151 11/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL22802049 0.81 BAZ2B (0.48) RXRARXRBRXRG
SCHEMBL11667482 0.78 RXRA (0.58) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL530281 0.77 CASP1 (0.42)
SCHEMBL5312079 0.77 RXRA (0.42) RXRARXRBRXRGALDH1A1NPC1
SCHEMBL345354 0.75 GHSR (0.44) RXRARXRBRXRGNPC1RAB9A
SCHEMBL1952631 0.75 ALDH1A1 (0.40) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL1950555 0.75 RXRA (0.33) RXRARXRBRXRG
SCHEMBL1645165 0.74 ALDH1A1 (0.35) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL20951244 0.74 TRPM8 (0.38) RXRARXRBRXRGALDH1A1KMT2A
SCHEMBL8063378 0.74 ALDH2 (0.35) NPC1RAB9ALMNA

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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 RXRA 4361/4885RXRB 4014/4885RXRG 4339/4885

“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.