SCHEMBL4179847

SCHEMBL4179847

CCOc1ccccc1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.68
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
TRPV4 Q9HBA0 1/20 0.48
PDE5A O76074 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESRRA P11474 1/20 0.42
SLC6A2 P23975 3/20 0.42
FFAR1 O14842 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ICMT O60725 1/20 0.41

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
SCHEMBL4170196 0.87 AR (0.58) ARSLC6A4SLC6A3KCNH2MAPT
SCHEMBL435768 0.86 TRPV4 (0.56) ARSLC6A4SLC6A3KCNH2MAPT
SCHEMBL4183157 0.84 AR (0.73) ARSLC6A4SLC6A3KCNH2MAPT
SCHEMBL4178705 0.83 AR (0.68) ARSLC6A4SLC6A3KCNH2MRGPRX4
SCHEMBL4168825 0.81 AR (1.00) ARSLC6A4SLC6A3KCNH2MAPT
SCHEMBL4163791 0.81 AR (0.64) ARSLC6A4SLC6A3KCNH2MRGPRX4
SCHEMBL13875523 0.80 AR (0.68) ARSLC6A4SLC6A3KCNH2MRGPRX4
SCHEMBL5503972 0.80 AR (0.50) ARSLC6A4SLC6A3KCNH2MAPT
SCHEMBL4177571 0.80 AR (0.63) ARSLC6A4SLC6A3KCNH2MAPT
SCHEMBL1402437 0.78 TRPV4 (0.61) ARMAPTTRPV4PDE5AALDH1A1

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 8 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
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP claimed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO 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 1/4885SLC6A4 1384/4885SLC6A3 3395/4885

“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.