SCHEMBL2953448

SCHEMBL2953448

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.46
▸ PGR P06401 5/20 0.46
▸ NR3C2 P08235 2/20 0.46
▸ SERPINA6 P08185 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ SHBG P04278 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SRD5A2 P31213 2/20 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
SCHEMBL4261966 0.86 AR (0.50) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2833823 0.81 AR (0.51) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL29335494 0.81 AR (0.51) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL29335775 0.79 AR (0.51) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13216960 0.79 AR (0.48) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2965005 0.78 AR (0.63) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL29335510 0.78 AR (0.49) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL13474752 0.78 AR (0.49) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL30140884 0.78 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1
SCHEMBL2832958 0.78 SHBG (0.59) ARPGRNR3C2SERPINA6ALDH1A1

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.

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