Sugi Predict

Sugi Predict / Compounds / SCHEMBL4584277

SCHEMBL4584277

SCHEMBL4584277

C[C@]12CC=CCC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 1.00
▸ AKR1B10 O60218 2/20 0.61
▸ AKR1B1 P15121 2/20 0.61
▸ OR51E2 Q9H255 1/20 0.61
▸ GPBAR1 Q8TDU6 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ SHBG P04278 2/20 0.59
▸ SERPINA6 P08185 2/20 0.59
▸ HSD17B3 P37058 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ G6PD P11413 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL334388 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL334387 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL13301261 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL9965232 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
Sulfuric Acid SCHEMBL9022915 0.94 CYP19A1 (0.88) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
Sulfuric Acid SCHEMBL7467213 0.94 CYP19A1 (0.88) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL20166975 0.82 CYP19A1 (0.70) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL1460891 0.82 CYP19A1 (0.70) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL16659742 0.82 CYP19A1 (0.69) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11648596 0.80 CYP19A1 (0.67) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249789-B Preparation method of 7 alpha-methyl-3, 3-dimethoxy-5 (10) -androstene-17-one 湖南普尔生物医药有限公司 2023-06-02 — — CN claimed
CN-114249789-A Preparation method of 7 alpha-methyl-3, 3-dimethoxy-5 (10) -androstene-17-one 湖南普尔生物医药有限公司 2022-03-29 — — CN claimed
CN-112375120-B Preparation method of 5 a-androst-2-ene-17-one 湖南省湘中制药有限公司 2022-01-25 — — CN claimed
CN-113788872-A Preparation method of androst-2-ene-17-one 湖北共同药业股份有限公司 2021-12-14 — — CN claimed
CN-113637043-A Preparation method of 5 alpha-androst-2-ene-17 ketone 重庆康乐制药有限公司 2021-11-12 — — CN claimed
CN-112625077-A Preparation method of androst-2-ene-17-one and androst-2-ene-17-one 成都新恒创药业有限公司 2021-04-09 — — CN claimed
CN-112375120-A Preparation method of 5 a-androst-2-ene-17-one 湖南省湘中制药有限公司 2021-02-19 — — CN claimed
EP-2938654-B1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES OREAL (FR) 2016-08-24 — — EP claimed
US-20150342868-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES LOREAL (FR) 2015-12-03 — — US claimed
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-12 — — US claimed
EP-2938654-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-04 — — EP claimed
EP-2938402-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-04 — — EP claimed
WO-2014102077-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2014-07-03 — — WO claimed
WO-2014102078-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2014-07-03 — — WO claimed
CN-119591653-A Synthesis method of 5 alpha-androstane-2-alkene-17-ketone 上海药坦药物研究开发有限公司 2025-03-11 — — CN disclosed
US-20240383941-A1 3-ALPHA SUBSTITUTED 3-BETA-HYDROXY-17-OXIMATED ANDROSTANE COMPOUND FOR MODULATION OF THE ALPHA-3 SUBTYPE OF THE GABAA RECEPTOR UMECRINE AB (SE) 2024-11-21 — — US disclosed
EP-4430057-A1 3.ALPHA.-SUBSTITUTED 3.BETA.-HYDROXY 17-OXIMATED ANDROSTANE COMPOUND FOR MODULATION OF THE ALPHA-3 SUBTYPE OF THE GABA-A RECEPTOR Umecrine AB (SE) 2024-09-18 — — EP disclosed
US-4252733-A TOPICAL ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 — — US disclosed
US-4199530-A 14β-Hydroxyandrostanes HOFFMANN-LA ROCHE INC. (US) 1980-04-22 — — US disclosed
US-4170518-A Microbiological conversion of sterol derivatives to 5-androsten-17-one derivatives and their use SCHERING AKTIENGESELLSCHAFT (DE) 1979-10-09 — — 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 (3 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-20240383941-A1 3-ALPHA SUBSTITUTED 3-BETA-HYDROXY-17-OXIMATED ANDROSTANE COMPOUND FOR MODULATION OF THE ALPHA-3 SUBTYPE OF THE GABAA RECEPTOR HSD3B1, HSD17B3, HSD3B2 CYP19A1 20/4885AKR1B10 319/4885AKR1B1 251/4885
US-20150342868-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES TAS2R30, TAS1R1, TAS2R10 CYP19A1 1246/4885AKR1B10 1374/4885AKR1B1 1973/4885
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES OR10J3, OR51E2, MSMO1 CYP19A1 419/4885AKR1B10 1115/4885AKR1B1 1386/4885

“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.