SCHEMBL14333301

SCHEMBL14333301

CCOC(=O)C(C(=O)OCC)c1cc(OC(C)C)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
FBP1 P09467 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.33
CYP2C19 P33261 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL14333835 0.81 POLB (0.38) HTR2AALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL14334416 0.78 CYP19A1 (0.39) HTR2AALDH1A1MAPTGRIN2DGRIN3B
SCHEMBL2300342 0.76 MAPT (0.39) FBP1ALDH1A1MAPTSMN1; SMN2GRIN2D
SCHEMBL14334267 0.76 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4299437 0.76 ALDH1A1 (0.47) FBP1ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL12011132 0.73 MAPT (0.37) ALDH1A1MAPTSMN1; SMN2GRIN2DGRIN3B
SCHEMBL12403214 0.72 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2GRIN2DGRIN3B
SCHEMBL19224611 0.72 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2GRIN2DGRIN3B
SCHEMBL13532049 0.71 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2CRHBPCRHR2
SCHEMBL19228571 0.71 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GRIN2DGRIN3B

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-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
WO-2012178015-A2 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2012-12-27 WO 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-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 HTR2A 1369/4885FBP1 3008/4885ALDH1A1 4546/4885

“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.