SCHEMBL6842375

SCHEMBL6842375

CC[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.75
▸ NR3C1 P04150 4/20 0.52
▸ AR P10275 4/20 0.52
▸ ABCB11 O95342 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CYP2C19 P33261 2/20 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
▸ MEN1 O00255 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
Norgestomet SCHEMBL140382 0.85 PGR (1.00) PGRNR3C1ARABCB11CYP3A4
Norgestomet SCHEMBL11794624 0.85 PGR (1.00) PGRNR3C1ARABCB11CYP3A4
Norgestomet SCHEMBL140381 0.85 PGR (1.00) PGRNR3C1ARABCB11CYP3A4
SCHEMBL11794466 0.77 PGR (0.61) PGRNR3C1ARABCB11CYP3A4
SCHEMBL11793678 0.77 PGR (0.61) PGRNR3C1ARABCB11CYP3A4
SCHEMBL11424896 0.76 PGR (0.70) PGRNR3C1ARABCB11CYP3A4
SCHEMBL8425124 0.76 PGR (0.62) PGRNR3C1ARABCB11CYP3A4
SCHEMBL8423621 0.76 PGR (0.63) PGRNR3C1ARABCB11CYP3A4
SCHEMBL11443759 0.76 PGR (0.62) PGRNR3C1ARABCB11CYP3A4
SCHEMBL7854625 0.75 PGR (0.58) PGRNR3C1ARABCB11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040247674-A1 Drug delivery system BAYER SCHERING PHARMA OY (FI) 2004-12-09 — — US disclosed
US-4053580-A POLYSILOXANE, POLYOXYETHYLENE GLYCOL G. D. SEARLE & CO. (US) 1977-10-11 — — US disclosed
US-3992518-A CROSSLINKING SILICONE POLYMERS G. D. SEARLE & CO. (US) 1976-11-16 — — US disclosed
US-3946106-A POLYSILOXANES G. D. SEARLE & CO. (US) 1976-03-23 — — 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-20040247674-A1 Drug delivery system ESR1, PGF, PGRMC1 PGR 19/4885NR3C1 191/4885AR 58/4885

“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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