SCHEMBL4172806

SCHEMBL4172806

CCCCCN(C)C(=O)CCCCCCCCCN(CC(F)(F)F)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
BCHE P06276 4/20 0.45
AR P10275 8/20 0.41
CYP3A4 P08684 4/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
EPHX2 P34913 2/20 0.36
TSHR P16473 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL14625278 0.91 ACHE (0.44) ACHEBCHEARTHRATHRB
SCHEMBL4186756 0.82 AR (0.46) ACHEBCHEARCYP3A4MAPK1
SCHEMBL3047176 0.78 CYP3A4 (0.56) ARCYP3A4MAPK1MAPTTSHR
SCHEMBL4175159 0.77 AR (0.46) ARMAPK1MAPTTHRAALDH1A1
SCHEMBL5282852 0.76 AR (0.41) ARCYP3A4MAPK1MAPTTSHR
SCHEMBL3054200 0.76 CYP3A4 (0.61) ARCYP3A4MAPK1MAPTTSHR
SCHEMBL13697658 0.72 AR (0.53) ARCYP3A4MAPK1TSHRCES2
SCHEMBL13697660 0.72 AR (0.53) ARCYP3A4MAPK1TSHRCES2
SCHEMBL15969823 0.71 AR (0.47) ARCYP3A4MAPK1TSHRCES2
SCHEMBL5452124 0.70 MAPT (0.60) ACHEARCYP3A4MAPK1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA ACHE 4523/4885BCHE 4103/4885AR 1/4885

“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.