SCHEMBL7596049

SCHEMBL7596049

CC(Br)C1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.65
▸ ABCB11 O95342 3/20 0.65
▸ PGR P06401 3/20 0.65
▸ LMNA P02545 3/20 0.65
▸ SHBG P04278 3/20 0.65
▸ NR3C1 P04150 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ SLC6A4 P31645 2/20 0.65
▸ TSHR P16473 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ ADRA2A P08913 1/20 0.65
▸ AR P10275 2/20 0.61
▸ NR3C2 P08235 1/20 0.61
▸ SERPINA6 P08185 2/20 0.58
▸ SLC22A1 O15245 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58

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
SCHEMBL5683159 1.00 CYP3A4 (0.65) CYP3A4ABCB11PGRLMNASHBG
SCHEMBL5686321 0.89 CYP3A4 (0.65) CYP3A4ABCB11PGRLMNASHBG
Normethandrone SCHEMBL23801610 0.83 PGR (0.73) CYP3A4ABCB11PGRLMNASHBG
Normethandrone SCHEMBL148631 0.83 PGR (0.73) CYP3A4ABCB11PGRLMNASHBG
Normethandrone SCHEMBL148632 0.83 PGR (0.73) CYP3A4ABCB11PGRLMNASHBG
SCHEMBL24476256 0.81 CYP3A4 (0.70) CYP3A4ABCB11PGRLMNASHBG
SCHEMBL5683857 0.81 CYP3A4 (0.69) CYP3A4ABCB11PGRLMNASHBG
Gestonorone SCHEMBL17831152 0.80 CYP3A4 (0.67) CYP3A4ABCB11PGRLMNASHBG
Norethandrolone SCHEMBL23801611 0.80 LMNA (0.71) CYP3A4ABCB11PGRLMNASHBG
Gestonorone SCHEMBL20488186 0.80 CYP3A4 (0.67) CYP3A4ABCB11PGRLMNASHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091112-A1 17-methylene steroids, process for their production and pharmaceutical compositions that contain these compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-07-11 — — 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-20020091112-A1 17-methylene steroids, process for their production and pharmaceutical compositions that contain these compounds CYP17A1, HSD17B11, CYP19A1 CYP3A4 55/4885ABCB11 1598/4885PGR 51/4885

“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.

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