SCHEMBL4178171

SCHEMBL4178171

COc1cc(Oc2ccccc2C)ccc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 1.00
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
CYP19A1 P11511 1/20 0.47
PGR P06401 1/20 0.47
BCAT1 P54687 1/20 0.46
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL15268658 0.86 AR (0.75) ARPOLBGAACYP19A1
SCHEMBL29779255 0.82 AR (0.69) ARPOLBGAABCAT1IMPDH2
SCHEMBL13875554 0.82 AR (0.69) ARPOLBGAABCAT1
SCHEMBL4175953 0.82 AR (1.00) ARPOLBGAAPGRSLC22A12
SCHEMBL13890508 0.80 AR (0.66) ARPOLBGAACYP19A1SLC22A12
SCHEMBL31060324 0.80 AR (1.00) ARPOLBGAACYP19A1IMPDH2
SCHEMBL17354615 0.80 AR (1.00) ARPOLBGAACYP19A1IMPDH2
SCHEMBL31060632 0.79 AR (1.00) ARPOLBGAACYP19A1IMPDH2
SCHEMBL4163678 0.78 AR (1.00) AR
SCHEMBL1608900 0.78 AR (0.69) ARPOLBGAAPGRIMPDH2

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 1/4885POLB 2022/4885GAA 4493/4885

“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.