Sugi Predict

Sugi Predict / Compounds / SCHEMBL2965005

SCHEMBL2965005

SCHEMBL2965005

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](CC(O)CC(=O)O)CC[C@H]3[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.63
▸ PGR P06401 7/20 0.46
▸ NR3C2 P08235 3/20 0.46
▸ SERPINA6 P08185 2/20 0.43
▸ SHBG P04278 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.40
▸ MCL1 Q07820 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6462161 0.83 AR (0.74) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13216966 0.81 AR (0.71) ARPGRNR3C2SERPINA6SHBG
SCHEMBL2834009 0.81 AR (0.71) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7702771 0.80 AR (0.66) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7704209 0.79 AR (0.60) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7706267 0.79 AR (0.70) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7698466 0.79 AR (0.70) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7706264 0.79 AR (0.70) ARPGRNR3C2SERPINA6SHBG
SCHEMBL7698468 0.79 AR (0.70) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13216965 0.79 AR (0.64) ARPGRNR3C2SERPINA6SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772218-B2 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one SRI INTERNATIONAL (US) 2010-08-10 — — US disclosed
US-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one PETERS RICHARD H (US) 2005-01-13 — — US disclosed
US-6784170-B2 TREATMENT OF PROSTATE DISORDERS SUCH AS PROSTATIC CANCER SRI INTERNATIONAL 2004-08-31 — — US disclosed
WO-2001058919-A9 SYNTHESIS OF ANTI-ESTROGENIC AND OTHER THERAPEUTIC STEROIDS FROM 21-HYDROXY-19-NORPREGNA-4-EN-3-ONE STANFORD RES INST INT (US) 2002-01-03 — — WO disclosed
US-20010039269-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one SRI INTERNATIONAL 2001-11-08 — — US disclosed
WO-2001058919-A2 SYNTHESIS OF ANTI-ESTROGENIC AND OTHER THERAPEUTIC STEROIDS FROM 21-HYDROXY-19-NORPREGNA-4-EN-3-ONE SRI INTERNATIONAL (US) 2001-08-16 — — WO 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-20010039269-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one NR5A1, HSD17B11, CYP17A1 AR 12/4885PGR 35/4885NR3C2 26/4885
US-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one CYP17A1, NR5A1, HSD17B11 AR 9/4885PGR 32/4885NR3C2 28/4885

“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.