SCHEMBL6695302

SCHEMBL6695302

CC(=O)O[C@@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.62
▸ PGR P06401 9/20 0.62
▸ NR3C2 P08235 4/20 0.62
▸ MAPT P10636 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SHBG P04278 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
Cyanate SCHEMBL15201508 0.84 AR (0.58) ARPGRNR3C2MAPTCYP2C19
SCHEMBL11138065 0.84 PGR (0.75) ARPGRNR3C2MAPTCYP2C19
Mibolerone SCHEMBL565277 0.84 AR (0.67) ARPGRNR3C2CYP2C19CYP3A4
Mibolerone SCHEMBL14275154 0.84 AR (0.67) ARPGRNR3C2CYP2C19CYP3A4
Mibolerone SCHEMBL4362587 0.84 AR (0.67) ARPGRNR3C2CYP2C19CYP3A4
Mibolerone SCHEMBL10603681 0.84 AR (0.67) ARPGRNR3C2CYP2C19CYP3A4
SCHEMBL24476182 0.83 AR (0.63) ARPGRNR3C2CYP2C19CYP3A4
SCHEMBL24476600 0.82 AR (0.64) ARPGRNR3C2CYP2C19CYP3A4
SCHEMBL24476180 0.80 AR (0.62) ARPGRNR3C2CYP2C19CYP3A4
SCHEMBL24476181 0.80 AR (0.62) ARPGRNR3C2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010138-A1 Process for the production of 7alpha-methyl steroids SCHERING AG (DE) 2004-01-15 — — US claimed
US-20040010138-A1 Process for the production of 7alpha-methyl steroids SCHERING AG (DE) 2004-01-15 — — 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-20040010138-A1 Process for the production of 7alpha-methyl steroids CYP21A2, CYP17A1, CYP4A11 AR 290/4885PGR 701/4885NR3C2 26/4885

“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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