SCHEMBL5700422

SCHEMBL5700422

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nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.60
PGR P06401 9/20 0.60
NR3C2 P08235 4/20 0.60
SHBG P04278 2/20 0.47
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
ABCB11 O95342 2/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
ADRA2A P08913 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5700326 0.92 AR (0.63) ARPGRNR3C2SHBGLMNA
SCHEMBL5700305 0.86 AR (0.61) ARPGRNR3C2SHBGLMNA
SCHEMBL5700301 0.86 AR (0.61) ARPGRNR3C2SHBGLMNA
Mibolerone SCHEMBL565277 0.85 AR (0.67) ARPGRNR3C2SHBGLMNA
Mibolerone SCHEMBL4362587 0.85 AR (0.67) ARPGRNR3C2SHBGLMNA
Mibolerone SCHEMBL10603681 0.85 AR (0.67) ARPGRNR3C2SHBGLMNA
Mibolerone SCHEMBL14275154 0.85 AR (0.67) ARPGRNR3C2SHBGLMNA
SCHEMBL5700112 0.84 CYP3A4 (0.65) ARPGRNR3C2SHBGLMNA
SCHEMBL24476600 0.83 AR (0.64) ARPGRNR3C2SHBGLMNA
SCHEMBL24476182 0.82 AR (0.63) ARPGRNR3C2SHBGLMNA

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 4 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

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 AR 60/4885PGR 827/4885NR3C2 37/4885

“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.