Sugi Predict

Sugi Predict / Compounds / SCHEMBL5700149

SCHEMBL5700149

SCHEMBL5700149

CC1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CCC3(O)C(F)(F)F)[C@H]12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 3/20 0.76
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP19A1 P11511 1/20 0.64
▸ CYP3A4 P08684 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ AR P10275 2/20 0.49
▸ NR3C1 P04150 2/20 0.49
▸ PGR P06401 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ NR3C2 P08235 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ ESR2 Q92731 1/20 0.49

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
SCHEMBL5700143 1.00 SHBG (0.76) SHBGALDH1A1CYP19A1CYP3A4LMNA
SCHEMBL5700150 0.91 SHBG (0.72) SHBGALDH1A1CYP19A1CYP3A4LMNA
SCHEMBL5700148 0.91 SHBG (0.72) SHBGALDH1A1CYP19A1CYP3A4LMNA
Bolasterone SCHEMBL10904938 0.86 SHBG (1.00) SHBGALDH1A1CYP19A1CYP3A4LMNA
Bolasterone SCHEMBL11876760 0.86 SHBG (1.00) SHBGALDH1A1CYP19A1CYP3A4LMNA
Calusterone SCHEMBL4509 0.86 SHBG (1.00) SHBGALDH1A1CYP19A1CYP3A4LMNA
SCHEMBL8340651 0.86 SHBG (0.82) SHBGALDH1A1CYP19A1CYP3A4LMNA
SCHEMBL8340653 0.86 SHBG (0.82) SHBGALDH1A1CYP19A1CYP3A4LMNA
Bolasterone SCHEMBL145066 0.86 SHBG (1.00) SHBGALDH1A1CYP19A1CYP3A4LMNA
Bolasterone SCHEMBL5656551 0.86 SHBG (1.00) SHBGALDH1A1CYP19A1CYP3A4LMNA

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 SHBG 43/4885ALDH1A1 144/4885CYP19A1 6/4885

“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.