SCHEMBL6357336

SCHEMBL6357336

CC[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.70
▸ SHBG P04278 3/20 0.70
▸ SERPINA6 P08185 2/20 0.70
▸ SLC22A1 O15245 1/20 0.70
▸ THRB P10828 1/20 0.70
▸ CYP19A1 P11511 2/20 0.60
▸ PGR P06401 3/20 0.60
▸ LMNA P02545 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HIF1A Q16665 2/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ AR P10275 1/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ ABCB11 O95342 2/20 0.52
▸ NR3C1 P04150 2/20 0.52
▸ SLC6A4 P31645 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL20342396 1.00 ALDH1A1 (0.70) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL7891346 0.89 ALDH1A1 (0.72) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL5973336 0.89 ALDH1A1 (0.72) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL2838231 0.89 ALDH1A1 (0.68) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL7518658 0.88 ALDH1A1 (0.67) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL13372738 0.88 ALDH1A1 (0.67) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL2832494 0.87 ALDH1A1 (0.69) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL13216858 0.87 ALDH1A1 (0.69) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL11144395 0.86 ALDH1A1 (0.65) ALDH1A1SHBGSERPINA6SLC22A1THRB
SCHEMBL8396003 0.84 ALDH1A1 (0.65) ALDH1A1SHBGSERPINA6SLC22A1THRB

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-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 claimed
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 claimed
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 claimed
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 claimed
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 — — EP disclosed
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 — — 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 ALDH1A1 1199/4885SHBG 10/4885SERPINA6 745/4885
US-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one CYP17A1, NR5A1, HSD17B11 ALDH1A1 1086/4885SHBG 10/4885SERPINA6 996/4885

“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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