SCHEMBL4142858

SCHEMBL4142858

CCCCC(Oc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCCCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 2/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PGR P06401 1/20 0.39
PPARA Q07869 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
SCHEMBL4139756 0.88 AR (0.46) ARPPARGPTGESALOX5UBE2M
SCHEMBL4132662 0.83 AR (0.47) ARPPARGUBE2MDCUN1D1PGR
SCHEMBL4133498 0.83 AR (0.47) ARPPARGUBE2MDCUN1D1PGR
SCHEMBL4157961 0.82 AR (0.43) AR
SCHEMBL4133573 0.80 AR (0.48) AR
SCHEMBL4145733 0.80 AR (0.43) ARUBE2MDCUN1D1
SCHEMBL13921015 0.80 AR (0.43) ARUBE2MDCUN1D1
SCHEMBL13771946 0.80 AR (0.43) ARUBE2MDCUN1D1
SCHEMBL4149832 0.80 AR (0.45) ARALDH1A1UBE2MDCUN1D1
SCHEMBL4138383 0.80 AR (0.48) ARALDH1A1UBE2MDCUN1D1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 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 (2 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG AR 1/4885MAPT 4720/4885ALDH1A1 1373/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885MAPT 4720/4885ALDH1A1 1373/4885

“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.