SCHEMBL5978543

SCHEMBL5978543

C=C1C(=C)[C@@H]2[C@@H](CC[C@@]3(C)[C@H]2CCC3(O)CCCO)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ NR3C1 P04150 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ AR P10275 3/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ SHBG P04278 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ SERPINA6 P08185 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL11645080 0.89 LMNA (0.46) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL6707126 0.87 LMNA (0.50) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL11647496 0.83 CYP17A1 (0.48) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL11647501 0.83 CYP17A1 (0.48) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL11645636 0.79 PGR (0.64) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL14571216 0.77 SHBG (0.68) PGRNR3C1LMNAARSHBG
SCHEMBL10892429 0.77 SHBG (0.68) PGRNR3C1LMNAARSHBG
SCHEMBL10892419 0.77 SHBG (0.68) PGRNR3C1LMNAARSHBG
SCHEMBL10890105 0.76 PGR (0.73) PGRTDP1NR3C1LMNAPDE4D
SCHEMBL11647042 0.76 PGR (0.73) PGRTDP1NR3C1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118488-A 4-Androsten-3-ones and process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US claimed
US-7112669-B2 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-26 — — US disclosed
US-7038040-B2 Process for preparation of 9, 11-epoxy steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2006-05-02 — — US disclosed
US-20050256094-A1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G. D. SEARLE & COMPANY (US) 2005-11-17 — — US disclosed
US-6887991-B1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G. D. SEARLE & COMPANY (US) 2005-05-03 — — US disclosed
US-20040191874-A1 Process for preparation of 9, 11-epoxy steroids and intermediates useful therein G.D. SEARLE & COMPANY 2004-09-30 — — US disclosed
US-6586591-B2 Removing an 11 alpha-leaving group from a 20-spiroxane derivative G.D. SEARLE & CO. 2003-07-01 — — US disclosed
US-20020042507-A1 Process for preparation of 9,11-epoxy steroids and intermediates useful therein NG JOHN S (US) 2002-04-11 — — US disclosed
EP-1167380-A2 11.alpha.-hydroxy-steroid-4,6-dien-3-one compounds and a process for their preparation G.D. Searle & Co. (US) 2002-01-02 — — EP disclosed
US-4118488-A 4-Androsten-3-ones and process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1978-10-03 — — 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 (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-20050256094-A1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 PGR 222/4885TDP1 4355/4885NR3C1 71/4885
US-20020042507-A1 Process for preparation of 9,11-epoxy steroids and intermediates useful therein CYP4A11, HSD11B1, DHCR7 PGR 1061/4885TDP1 4522/4885NR3C1 42/4885

“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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