SCHEMBL5229562

SCHEMBL5229562

CCCC1CCc2cc3c(C)cc(=O)oc3cc2NC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.58
AR P10275 7/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
GAA P10253 2/20 0.44
GLA P06280 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
PGR P06401 4/20 0.41
MCL1 Q07820 2/20 0.40
MAOA P21397 2/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.38
THRB P10828 1/20 0.38
AKR1B1 P15121 1/20 0.38
NR3C1 P04150 3/20 0.37

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
SCHEMBL5229574 1.00 ATM (0.58) ATMARKDM4EALDH1A1HPGD
SCHEMBL14409517 1.00 ATM (0.58) ATMARKDM4EALDH1A1HPGD
SCHEMBL5229567 1.00 ATM (0.58) ATMARKDM4EALDH1A1HPGD
SCHEMBL5230663 0.85 AR (0.66) ARPGRMCL1NR3C1NR3C2
SCHEMBL5230657 0.85 AR (0.66) ARPGRMCL1NR3C1NR3C2
SCHEMBL5230650 0.85 AR (0.66) ARPGRMCL1NR3C1NR3C2
SCHEMBL14561713 0.85 AR (0.66) ARPGRMCL1NR3C1NR3C2
SCHEMBL5229367 0.82 ATM (0.64) ATMARKDM4EALDH1A1HPGD
SCHEMBL5234530 0.82 ATM (0.64) ATMARKDM4EALDH1A1HPGD
SCHEMBL5234524 0.82 ATM (0.64) ATMARKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP claimed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US claimed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP claimed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US claimed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP claimed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 WO claimed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 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-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR ATM 172/4885AR 1/4885KDM4E 2343/4885

“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.