SCHEMBL6851958

SCHEMBL6851958

C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCOC(C)=O)CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.58
CYP3A4 P08684 5/20 0.58
LMNA P02545 5/20 0.58
ABCB11 O95342 4/20 0.58
CYP2C19 P33261 4/20 0.58
NR3C1 P04150 4/20 0.58
SLC6A4 P31645 3/20 0.58
ESR1 P03372 3/20 0.58
SHBG P04278 3/20 0.58
TSHR P16473 2/20 0.58
HIF1A Q16665 2/20 0.58
ALDH1A1 P00352 1/20 0.58
ADRA2A P08913 1/20 0.58
AR P10275 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
CHRM2 P08172 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL6871067 0.88 PGR (0.63) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL6854107 0.88 PGR (0.63) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL5973567 0.84 PGR (0.68) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL9744774 0.83 PGR (0.64) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL6853055 0.82 CYP19A1 (0.51) PGRARNR3C2
SCHEMBL23805202 0.79 PGR (0.72) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL2835215 0.79 PGR (0.72) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL6245967 0.79 PGR (0.72) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL6873042 0.79 PGR (0.72) PGRCYP3A4LMNAABCB11CYP2C19
SCHEMBL7030182 0.78 CYP19A1 (0.49) PGRLMNAARMAPTNR3C2

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-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 EP disclosed
US-6541465-B2 Delta 14 derivatives of 19- nortestosterone, useful for the preparation of a medicine for treating androgen insufficiency AKZO NOBEL N.V. (NL) 2003-04-01 US disclosed
US-20020022609-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2002-02-21 US disclosed
US-6313108-B1 TREATING ANDROGEN INSUFFICIENCY AKZO NOBEL N.V. (NL) 2001-11-06 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-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 PGR 84/4885CYP3A4 100/4885LMNA 2728/4885

“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.