SCHEMBL4184976

SCHEMBL4184976

COc1ccc(C)cc1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.62
ACHE P22303 1/20 0.50
ESRRA P11474 1/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE5A O76074 2/20 0.43

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
SCHEMBL5498082 0.94 AR (0.64) ARACHEESRRASLC6A4SLC6A3
SCHEMBL4183157 0.86 AR (0.73) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4188134 0.86 AR (0.73) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4181543 0.86 AR (0.73) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL524339 0.84 AR (0.58) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL29687043 0.84 AR (0.58) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4179493 0.81 AR (0.58) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4170196 0.81 AR (0.58) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL5503972 0.80 AR (0.50) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4175734 0.79 AR (0.59) ARESRRASLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US claimed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP disclosed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 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-20090105349-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885ACHE 4672/4885ESRRA 13/4885

“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.