SCHEMBL4245554

SCHEMBL4245554

COc1ccc(NC(=O)C2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.66
CYP3A4 P08684 7/20 0.66
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MAPT P10636 5/20 0.66
MAPK1 P28482 4/20 0.66
TSHR P16473 4/20 0.66
SHBG P04278 4/20 0.66
SERPINA6 P08185 4/20 0.66
NR3C1 P04150 3/20 0.66
PGR P06401 3/20 0.66
AR P10275 3/20 0.66
GPBAR1 Q8TDU6 3/20 0.66
SIGMAR1 Q99720 3/20 0.66
CYP2C9 P11712 2/20 0.66
HIF1A Q16665 2/20 0.66
ABCB11 O95342 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NR3C2 P08235 2/20 0.66

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
SCHEMBL4245550 1.00 LMNA (0.66) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4251320 0.91 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4251319 0.91 LMNA (0.68) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4250932 0.90 LMNA (0.62) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4250929 0.90 LMNA (0.62) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4247713 0.90 CYP3A4 (0.67) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4247715 0.90 CYP3A4 (0.67) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4251322 0.90 LMNA (0.67) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL4251328 0.90 LMNA (0.67) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL14117502 0.90 SRD5A2 (0.73) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434786-A4 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2009-03-25 EP claimed
US-7402577-B2 Androstane 17-beta-carboxamides as androgen receptor modulators MERCK & CO., INC. (US) 2008-07-22 US claimed
US-20040220159-A1 Androstane 17-beta-carboxamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2004-11-04 US claimed
EP-1434786-A1 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-07-07 EP claimed
WO-2003029268-A1 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-04-10 WO claimed
EP-1434786-A4 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2009-03-25 EP disclosed
US-7402577-B2 Androstane 17-beta-carboxamides as androgen receptor modulators MERCK & CO., INC. (US) 2008-07-22 US disclosed
US-20040220159-A1 Androstane 17-beta-carboxamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2004-11-04 US disclosed
EP-1434786-A1 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-07-07 EP disclosed
WO-2003029268-A1 ANDROSTANE 17-BETA-CARBOXAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-04-10 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-20040220159-A1 Androstane 17-beta-carboxamides as androgen receptor modulators CYP19A1, SHBG, AR LMNA 2539/4885CYP3A4 828/4885ALDH1A1 1136/4885

“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.