SCHEMBL4185667

SCHEMBL4185667

N#Cc1ccc(Oc2cccc3c2CCCC3)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.61
SLC22A12 Q96S37 10/20 0.42
PGR P06401 1/20 0.40
ESRRA P11474 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL5499597 0.87 AR (0.54) ARSLC22A12PGRESRRA
SCHEMBL26110060 0.79 AR (0.52) ARSLC22A12PGRESRRACYP2C19
SCHEMBL753907 0.77 AR (0.75) ARSLC22A12PGRCYP3A4CYP2C8
SCHEMBL31180242 0.77 STS (0.44) MRGPRX4
SCHEMBL13890551 0.77 AR (0.75) ARSLC22A12CYP3A4CYP2C8CYP2C9
SCHEMBL4181007 0.76 AR (0.50) ARSLC22A12PGR
SCHEMBL4175953 0.76 AR (1.00) ARSLC22A12PGR
SCHEMBL13835216 0.76 PDE4A (0.51) ARMRGPRX4
SCHEMBL5501269 0.76 AR (0.57) ARSLC22A12PGRESRRACYP3A4
SCHEMBL31180258 0.76 STS (0.42) MRGPRX4

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 1/4885SLC22A12 3958/4885PGR 48/4885

“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.