SCHEMBL9070396

SCHEMBL9070396

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CBr

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.84
▸ SHBG P04278 6/20 0.84
▸ SMN1; SMN2 Q16637 5/20 0.84
▸ CYP2C19 P33261 5/20 0.84
▸ SERPINA6 P08185 5/20 0.84
▸ HIF1A Q16665 5/20 0.84
▸ LMNA P02545 4/20 0.84
▸ TSHR P16473 3/20 0.84
▸ CYP3A4 P08684 3/20 0.84
▸ BLM P54132 2/20 0.84
▸ PMP22 Q01453 2/20 0.84
▸ NR3C1 P04150 6/20 0.78
▸ KMT2A Q03164 3/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ MAPT P10636 2/20 0.78
▸ ADORA3 P0DMS8 1/20 0.78
▸ MAPK3 P27361 1/20 0.78
▸ SLC6A3 Q01959 1/20 0.78
▸ PGR P06401 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.69

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
SCHEMBL24358662 1.00 HSD17B10 (0.84) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL42590 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
SCHEMBL12239754 0.91 HSD17B10 (0.84) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL13768127 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL24900239 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
SCHEMBL6019058 0.91 HSD17B10 (0.84) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL17906542 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL13352414 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL14360590 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6
Cortodoxone SCHEMBL1592718 0.91 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2CYP2C19SERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332847-A Process for the preparation of 21-bromo-4-pregnene-3,20-dione derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1994-07-26 — — US claimed
CN-122042848-A Method for separating and measuring key starting materials and related compounds of clavulanone by HPLC (high Performance liquid chromatography) 福建大谱生物医药有限公司 2026-05-15 — — CN disclosed
US-20240018181-A1 PROCESS FOR THE PRODUCTION OF 21-(ACETYLOXY)-17-(PROPIONYLOXY)-PREGN-4-ENE-3,20-DIONE INDUSTRIALE CHIMICA S.R.L. (IT) 2024-01-18 — — US disclosed
US-5506354-A ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS THE UPJOHN COMPANY (US) 1996-04-09 — — US disclosed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP disclosed
US-RE35053-E Intermediates for amino substituted steroids THE UPJOHN COMPANY (US) 1995-10-10 — — US disclosed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP disclosed
EP-0431151-B1 METHOD FOR PREPARING 21-BROM-4-PREGNEN-3,20-DIONE DERIVATIVES SCHERING AG (DE) 1995-03-15 — — EP disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 — — US disclosed
US-5380839-A Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
EP-0153001-B1 STEROIDS HAVING AN ENAMIDE OR ENIMIDE GROUP AND THEIR PREPARATION THE UPJOHN COMPANY (US) 1992-03-11 — — EP disclosed
US-4831131-A 11β,17α-Dihydroxy-17β-cyano-androstanes THE UPJOHN COMPANY (US) 1989-05-16 — — US disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO disclosed
US-4585590-A Cyanohydrin process THE UPJOHN COMPANY (US) 1986-04-29 — — US disclosed
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 — — US disclosed
EP-0153001-A2 Steroids having an enamide or enimide group and their preparation THE UPJOHN COMPANY (US) 1985-08-28 — — EP disclosed
US-4500461-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-02-19 — — US disclosed
US-4041055-A SULFENYLATION, MICHAEL ADDITION, REACTION WITH THIOPHILE, HYDROLYSIS THE UPJOHN COMPANY (US) 1977-08-09 — — 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 (1 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-20240018181-A1 PROCESS FOR THE PRODUCTION OF 21-(ACETYLOXY)-17-(PROPIONYLOXY)-PREGN-4-ENE-3,20-DIONE CYP17A1, HSD17B11, HSD17B7 HSD17B10 27/4885SHBG 177/4885SMN1; SMN2 4885/4885

“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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