SCHEMBL5974963

SCHEMBL5974963

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.54
▸ ESR1 P03372 5/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ CYP2C19 P33261 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ ABCB11 O95342 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ NR3C1 P04150 3/20 0.54
▸ SLC6A4 P31645 3/20 0.54
▸ SHBG P04278 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ PDK1 Q15118 1/20 0.53
▸ PDK2 Q15119 1/20 0.53
▸ PDK3 Q15120 1/20 0.53
▸ PDK4 Q16654 1/20 0.53
▸ OPRK1 P41145 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50

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
SCHEMBL23822244 1.00 PGR (0.54) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL24476271 1.00 PGR (0.54) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL24476268 0.87 PGR (0.54) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL2835215 0.87 PGR (0.72) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL6873042 0.87 PGR (0.72) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL23805202 0.87 PGR (0.72) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL6245967 0.87 PGR (0.72) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL24476431 0.87 PGR (0.54) PGRESR1CYP3A4CYP2C19LMNA
SCHEMBL6840796 0.85 AR (0.50) PGRESR1LMNANR3C1SHBG
SCHEMBL5974319 0.85 AR (0.50) PGRESR1LMNANR3C1SHBG

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
EP-1240179-B1 3-METHYLENE STEROID DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AKZO NOBEL NV (NL) 2006-03-08 — — EP claimed
US-6579864-B1 Arthritic diseases and/or autoimmune diseases AKZO NOBEL NV (NL) 2003-06-17 — — US claimed
EP-1240179-B1 3-METHYLENE STEROID DERIVATIVES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AKZO NOBEL NV (NL) 2006-03-08 — — EP disclosed
US-20040043972-A1 3-Methylene steroid derivatives AKZO NOBEL N.V. (NL) 2004-03-04 — — 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-20040043972-A1 3-Methylene steroid derivatives HSD17B11, NR5A1, CYP17A1 PGR 26/4885ESR1 7/4885CYP3A4 198/4885

“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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