SCHEMBL17795378

SCHEMBL17795378

CCC[C@@H](C)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.56
PTGS2 P35354 1/20 0.51
MAPT P10636 5/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL14942540 0.91 ALDH1A1 (0.54) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL10643494 0.89 GAA (0.58) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL27846044 0.88 MAPT (0.53) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL16479579 0.87 ALDH1A1 (0.56) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL12201705 0.87 ALDH1A1 (0.56) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL16479604 0.87 ALDH1A1 (0.56) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL19683417 0.83 GAA (0.53) ALDH1A1GAAPTGS2MAPTCA1
SCHEMBL21157751 0.83 GAA (0.57) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL21157727 0.83 GAA (0.57) ALDH1A1GAAPTGS2MAPTCRHBP
SCHEMBL19683182 0.83 GAA (0.53) ALDH1A1GAAPTGS2MAPTCA1

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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 ALDH1A1 1300/4885GAA 1574/4885PTGS2 247/4885

“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.