SCHEMBL5118040

SCHEMBL5118040

CC(C)Oc1cc(C(F)(F)F)c2c3c(ccc2n1)N(CC(F)(F)F)CCO3

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.52
NR3C1 P04150 3/20 0.36
PGR P06401 2/20 0.36
ACACB O00763 1/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
EGFR P00533 2/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL5128200 0.83 AR (0.39) ARNR3C1PGR
SCHEMBL5126210 0.82 AR (0.56) ARNR3C1PGR
SCHEMBL5489778 0.82 AR (0.56) ARNR3C1PGR
SCHEMBL5124234 0.81 AR (0.57) ARNR3C1PGR
SCHEMBL5128206 0.81 AR (0.60) ARNR3C1PGR
SCHEMBL5128711 0.80 AR (0.51) ARNR3C1PGR
SCHEMBL5121796 0.78 AR (0.58) ARNR3C1PGR
SCHEMBL5122727 0.77 AR (0.38) ARNR3C1PGR
SCHEMBL5118194 0.77 AR (0.41) ARNR3C1PGR
SCHEMBL5123704 0.77 AR (0.59) ARNR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US claimed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods HIGUCHI ROBERT I 2008-12-04 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
US-7214690-B2 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-05-08 US disclosed
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2007-03-29 US disclosed
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 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 (5 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 AR 1496/4885NR3C1 943/4885PGR 4016/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 AR 1308/4885NR3C1 1594/4885PGR 2799/4885
US-20020183314-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 57/4885PGR 92/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 60/4885PGR 97/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR AR 1/4885NR3C1 60/4885PGR 97/4885

“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.