SCHEMBL4201203

SCHEMBL4201203

COc1cc(OCCc2cccc(F)c2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.48
MAOB P27338 2/20 0.45
GPR84 Q9NQS5 1/20 0.41
ALOX5 P09917 1/20 0.41
HTR2A P28223 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ACHE P22303 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL992663 0.79 MAOB (0.49) MAOBSIRT2
SCHEMBL13784760 0.76 AR (0.62) AR
SCHEMBL6288611 0.75 MAOB (0.55) ARMAOB
SCHEMBL4184465 0.75 MAOB (0.70) ARMAOBALOX5
SCHEMBL4191279 0.74 AR (0.59) AR
SCHEMBL13367745 0.72 AR (0.59) AR
SCHEMBL5842342 0.72 AR (0.52) ARMAOB
SCHEMBL551293 0.72 AR (0.53) AR
SCHEMBL4424283 0.71 MAOB (0.56) MAOB
SCHEMBL9523748 0.71 AR (0.51) ARMAOB

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-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 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-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885MAOB 1336/4885GPR84 157/4885

“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.