SCHEMBL8516255

SCHEMBL8516255

C[C@]12C[C@H](c3cccc(C4CC4)c3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.74
▸ NR3C1 P04150 16/20 0.58
▸ PGR P06401 6/20 0.58
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13192407 1.00 AR (0.74) ARNR3C1PGRMEN1TP53
SCHEMBL13192265 0.92 AR (0.83) ARNR3C1PGRMEN1TP53
SCHEMBL993139 0.92 AR (0.83) ARNR3C1PGRMEN1TP53
SCHEMBL11892273 0.91 AR (0.81) ARNR3C1PGRMEN1TP53
SCHEMBL992884 0.91 AR (0.71) ARNR3C1PGR
SCHEMBL13192925 0.91 AR (0.71) ARNR3C1PGR
SCHEMBL14151077 0.90 AR (0.70) ARNR3C1PGR
SCHEMBL993362 0.90 AR (0.82) ARNR3C1PGR
SCHEMBL12950883 0.90 AR (0.82) ARNR3C1PGR
SCHEMBL14151381 0.90 AR (0.75) ARNR3C1PGR

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
US-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 — — US claimed
US-9206219-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 — — US disclosed
US-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-11 — — US disclosed
EP-2456780-A2 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES Bayer Pharma Aktiengesellschaft (DE) 2012-05-30 — — EP 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-20120258941-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ARYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR TREATING DISEASES CYP19A1, SHBG, HSD17B11 AR 352/4885NR3C1 261/4885PGR 16/4885

“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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