SCHEMBL5452877

SCHEMBL5452877

CCC(C)N(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.59
PGR P06401 1/20 0.40
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 2/20 0.34
GAA P10253 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
POLQ O75417 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
BRCA1 P38398 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5457476 0.82 AR (0.61) ARPGRKDM4EL3MBTL1ALDH1A1
SCHEMBL5457473 0.82 AR (0.61) ARPGRKDM4EL3MBTL1ALDH1A1
SCHEMBL22980911 0.82 KDM4E (0.46) ARKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL29659002 0.82 KDM4E (0.46) ARKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5459183 0.81 L3MBTL1 (0.47) ARKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5467693 0.80 AR (0.49) ARKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5468175 0.78 AR (0.56) ARKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5467791 0.78 AR (0.59) ARKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5470426 0.74 AR (1.00) ARPGR
SCHEMBL15110837 0.73 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1HPGDTDP1

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-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US claimed
EP-1687274-A1 ANDROGEN RECEPTOR MODULATORS Warner-Lambert Company LLC (US) 2006-08-09 EP claimed
WO-2005049574-A1 ANDROGEN RECEPTOR MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed
US-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US disclosed
US-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US disclosed
US-20070129409-A1 Androgen receptor modulators HU LAIN-YEN 2007-06-07 US 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-20070129409-A1 Androgen receptor modulators AR, FSHR, NR5A1 AR 1/4885PGR 77/4885KDM4E 513/4885

“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.