SCHEMBL5700243

SCHEMBL5700243

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 9/20 0.74
NR3C1 P04150 5/20 0.74
PGR P06401 4/20 0.74
ALDH1A1 P00352 3/20 0.74
ADRA1A P35348 1/20 0.74
HTR2B P41595 1/20 0.74
LMNA P02545 8/20 0.68
SERPINA6 P08185 7/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
BLM P54132 4/20 0.68
CYP2C19 P33261 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 2/20 0.68
ADORA3 P0DMS8 1/20 0.68
MAPK3 P27361 1/20 0.68
SLC6A3 Q01959 1/20 0.68
TSHR P16473 5/20 0.67
AR P10275 3/20 0.67
HIF1A Q16665 2/20 0.67

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
SCHEMBL5700248 1.00 SHBG (0.74) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL5700529 0.91 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL5700534 0.91 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL5700292 0.85 HIF1A (0.71) SHBGNR3C1PGRLMNASERPINA6
SCHEMBL5700286 0.85 HIF1A (0.71) SHBGNR3C1PGRLMNASERPINA6
SCHEMBL5023902 0.85 SHBG (0.81) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL4442874 0.85 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL6472960 0.85 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL18891626 0.85 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A
Methyltestosterone SCHEMBL13965283 0.85 SHBG (1.00) SHBGNR3C1PGRALDH1A1ADRA1A

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
EP-1322660-B1 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2006-08-30 EP claimed
US-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-05 US claimed
EP-1322660-B1 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2006-08-30 EP disclosed
US-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
CN-1061983-C 4-trifluoromethyl-3-ketosteroid compound and synthesizing method thereof SHANGHAI INST ORGANIC CHEM (CN) 2001-02-14 CN disclosed
WO-1993013122-A1 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-08 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 (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-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds CYP17A1, CYP21A2, NR5A1 SHBG 43/4885NR3C1 106/4885PGR 827/4885

“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.