SCHEMBL9972607

SCHEMBL9972607

CC(C)(C)OC(=O)N1CCC[C@H]1/C=C\CCCCC(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.33
LMNA P02545 2/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9972620 0.98 HSD17B10 (0.38) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16551785 0.88 MEN1 (0.33) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9932019 0.83 PEPD (0.31) MEN1KMT2A
SCHEMBL9931550 0.83 PEPD (0.31) MEN1KMT2A
SCHEMBL9931548 0.83 PEPD (0.31) MEN1KMT2A
SCHEMBL9931549 0.83 PEPD (0.31) MEN1KMT2A
SCHEMBL8917960 0.83 HSD17B10 (0.41) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2688423 0.81 ALDH1A1 (0.41) HSD17B10ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2688427 0.81 ALDH1A1 (0.41) HSD17B10ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2688426 0.81 ALDH1A1 (0.41) HSD17B10ALDH1A1MEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 US disclosed
WO-2010139411-A2 17β-ALKYL-17α-OXY-ESTRATRIENES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-09 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-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes CYP19A1, HSD17B11, CYP17A1 HSD17B10 58/4885SMN1; SMN2 3753/4885ALDH1A1 285/4885

“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.