SCHEMBL4200879

SCHEMBL4200879

CCOc1ccccc1COc1ccc(C#N)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
MRGPRX4 Q96LA9 2/20 0.48
MAOB P27338 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
SLC22A12 Q96S37 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 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
SCHEMBL4198833 0.88 AR (0.54) ARMRGPRX4MAOBGAASLC22A12
SCHEMBL4178475 0.83 AR (0.68) ARL3MBTL1GAASLC22A12HTR2A
SCHEMBL4186993 0.83 AR (0.60) ARMRGPRX4MAOBSLC22A12
SCHEMBL4197192 0.81 AR (0.72) AR
SCHEMBL14618854 0.80 MRGPRX4 (0.54) ARMRGPRX4MAOBSLC22A12NPC1
SCHEMBL4181484 0.77 AR (0.68) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL4075116 0.76 MAOB (0.74) ARMRGPRX4MAOBMEN1NPC1
SCHEMBL13223331 0.73 CYP11B1 (0.51) ARMRGPRX4MAOBSLC22A12NPC1
SCHEMBL30580547 0.73 AR (0.50) ARMRGPRX4MAOBSLC22A12KMT2A
SCHEMBL5902106 0.73 MAOB (0.78) ARMRGPRX4MAOB

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 3 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

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 1/4885MRGPRX4 1139/4885MAOB 1336/4885

“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.