SCHEMBL2507571

SCHEMBL2507571

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 1.00
LMNA P02545 3/20 1.00
NR3C1 P04150 5/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
CYP2C19 P33261 3/20 0.80
HSD17B10 Q99714 3/20 0.80
SERPINA6 P08185 3/20 0.80
CYP3A4 P08684 3/20 0.80
MAPT P10636 3/20 0.80
PGR P06401 2/20 0.80
SHBG P04278 2/20 0.80
KMT2A Q03164 2/20 0.80
NFKB1 P19838 2/20 0.80
NR3C2 P08235 1/20 0.80
AR P10275 1/20 0.76
CHRM1 P11229 1/20 0.76
MEN1 O00255 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
MAPK3 P27361 1/20 0.71
BLM P54132 1/20 0.71

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
SCHEMBL19327109 1.00 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL139280 1.00 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL13754708 1.00 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL3940262 1.00 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL139279 1.00 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL14523057 1.00 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL1626384 0.92 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL1626382 0.92 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL2484782 0.92 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL13147966 0.92 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 EP claimed
EP-0054390-B1 DEHALOGENATION OF STEROIDS THE UPJOHN COMPANY (US) 1984-07-25 EP claimed
US-4325881-A Debromination THE UPJOHN COMPANY (US) 1982-04-20 US claimed
CN-118566493-A Preparation method of blood reference product applied to next generation metabonomics 上海阿趣生物科技有限公司 2024-08-30 CN disclosed
CN-117126820-A C11 alpha-hydroxylase mutant with improved catalytic activity, method and application thereof 天津科技大学 2023-11-28 CN disclosed
CN-116593615-A Method for detecting multiple endogenous steroid hormones in animal serum 杭州师范大学 2023-08-15 CN disclosed
CN-106399342-B Recombinant plasmid and recombinant engineering bacterium as well as construction method and application thereof 天津大学 2019-12-31 CN disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed
EP-1976997-B1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA,10ALPHA-STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS SOLVAY PHARM GMBH (DE) 2009-04-08 EP disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US disclosed
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 US disclosed
US-4500461-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-02-19 US disclosed
EP-0003341-B1 11,17-SUBSTITUTED PREGNANES, THEIR PREPARATION AND APPLICATION FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1984-06-27 EP disclosed
US-4269778-A REACTING AN ACETONE OR DIMETHYLFORMAMIDE SUSPENSION OF THE SULFONATE DERIVATIVE OBTAINED FROM REACTING THE ALCOHOL WITH A SULFONATING AGENT WITH A THIO CARBOXYLATE SIPSY (FR) 1981-05-26 US disclosed
US-4224320-A Novel steroids of the pregnane series, substituted in the 17-position, their manufacture and their use SCHERING, AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
US-4207316-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1980-06-10 US disclosed
US-4013688-A STEROIDS THE UPJOHN COMPANY (US) 1977-03-22 US disclosed
US-3984544-A Retinoic acid esters of steroids of the pregnane series, their use in the treatment of acne and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1976-10-05 US disclosed
US-3933799-A HORMONES GLAXO LABORATORIES LIMITED (EN) 1976-01-20 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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA HIF1A 2433/4885LMNA 1111/4885NR3C1 49/4885

“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.