SCHEMBL10355879

SCHEMBL10355879

C[C@@]12C(=CC(=O)C3C[C@@H]31)C1(CC1)CC1C2C=C[C@@]2(C)C1[C@@H]1CC1[C@@]21CCC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.47
▸ AR P10275 10/20 0.47
▸ LMNA P02545 1/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL10355913 0.81 PGR (0.46) PGRARLMNAABCC4ABCB11
SCHEMBL13342051 0.81 PGR (0.50) PGRARLMNAABCC4ABCB11
SCHEMBL10355845 0.81 PGR (0.50) PGRARLMNAABCC4ABCB11
SCHEMBL10355848 0.80 PGR (0.35) PGRARNR3C1CHRM2
SCHEMBL12568121 0.79 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL16852429 0.79 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL16852318 0.79 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL16852316 0.79 PGR (0.59) PGRARLMNAABCC4ABCB11
SCHEMBL10355962 0.78 PGR (0.51) PGRARLMNAABCC4ABCB11
SCHEMBL10355910 0.71 PGR (0.49) PGRARLMNAABCC4ABCB11

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-8222237-B2 Progestational 3-(6,6-ethylene-17B-hydroxy-3-oxo-17A-pregna-4-ene-17A-yl)propionic acid G-lactones EVESTRA, INC. (US) 2012-07-17 — — US disclosed
US-20100137264-A1 PROGESTATIONAL 3-(6,6-ETHYLENE-17B-HYDROXY-3-OXO-17A-PREGNA-4-ENE-17A-YL)PROPIONIC ACID G-LACTONES EVESTRA, INC. 2010-06-03 — — 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-20100137264-A1 PROGESTATIONAL 3-(6,6-ETHYLENE-17B-HYDROXY-3-OXO-17A-PREGNA-4-ENE-17A-YL)PROPIONIC ACID G-LACTONES HSD17B11, CYP17A1, NR3C2 PGR 14/4885AR 53/4885LMNA 947/4885

“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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