SCHEMBL4876562

SCHEMBL4876562

CC(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MGLL Q99685 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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
SCHEMBL4876569 1.00 GAA (0.53) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL31627733 0.88 GAA (0.53) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL16261887 0.84 HTR2A (0.59) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL4683792 0.82 GAA (0.60) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL4752026 0.81 GAA (0.58) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL14307582 0.81 GAA (0.58) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL2233659 0.81 HTR2A (0.52) GAABCL9CTNNB1HTR2AALDH1A1
SCHEMBL9365950 0.81 HTR2A (0.55) GAABCL9CTNNB1HTR2AALDH1A1
4-Nitrophenyl Acetate SCHEMBL74985 0.80 GAA (0.66) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL18285287 0.80 GAA (0.57) GAABCL9CTNNB1HTR2AALDH1A1

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-20080242644-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-10-02 — — 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-20080242644-A1 Factor Viia Inhibitor F7, F9, F5 GAA 1680/4885BCL9 297/4885CTNNB1 4072/4885

“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.

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