SCHEMBL3766708

SCHEMBL3766708

CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@H]43)[C@@H]1[C@H]1C[C@H]1[C@@]2(O)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.50
▸ AR P10275 12/20 0.50
▸ LMNA P02545 4/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ SHBG P04278 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ OPRM1 P35372 2/20 0.38
▸ NR3C2 P08235 2/20 0.37
▸ MAPT P10636 1/20 0.33

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
SCHEMBL16564563 0.89 PGR (0.49) PGRARLMNASLC6A4KMT2A
SCHEMBL3763965 0.87 PGR (0.60) PGRARLMNASLC6A4KMT2A
SCHEMBL3768432 0.86 PGR (0.54) PGRARLMNASLC6A4KMT2A
SCHEMBL923386 0.81 PGR (0.49) PGRARLMNASLC6A4KMT2A
SCHEMBL3773101 0.81 PGR (0.39) PGRARLMNASLC6A4KMT2A
SCHEMBL923275 0.81 PGR (0.49) PGRARLMNASLC6A4KMT2A
SCHEMBL3768624 0.81 PGR (0.54) PGRARLMNASLC6A4KMT2A
SCHEMBL3763967 0.81 PGR (0.54) PGRARLMNASLC6A4KMT2A
SCHEMBL13372674 0.79 PGR (0.49) PGRARLMNASLC6A4KMT2A
SCHEMBL13372625 0.79 PGR (0.49) PGRARLMNASLC6A4KMT2A

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-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US claimed
US-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTEINGESELLSCHAFT (DE) 2010-12-09 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100311702-A1 19-NOR-STEROID DERIVATIVES WITH A 15ALPHA, 16ALPHA-METHYLENE GROUP AND A SATURATED 17, 17-SPIRO-LACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 PGR 57/4885AR 58/4885LMNA 2564/4885
US-20130123219-A1 19-NOR-STEROID DERIVATIVES WITH A 15a,16a-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES HSD17B7, CYP17A1, NR3C2 PGR 57/4885AR 33/4885LMNA 1657/4885

“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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