SCHEMBL4588110

SCHEMBL4588110

C[C@]12CC[C@]3(C#N)c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.67
ESR1 P03372 10/20 0.67
NR3C1 P04150 5/20 0.40
HSD17B1 P14061 1/20 0.39
ABCB11 O95342 1/20 0.39
SOD1 P00441 1/20 0.37
PGR P06401 2/20 0.36
AR P10275 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
SHBG P04278 1/20 0.36
SERPINA6 P08185 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A4 P31645 1/20 0.36
SNCA P37840 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OR51E2 Q9H255 1/20 0.36
UGT1A10 Q9HAW8 1/20 0.36

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
SCHEMBL4587931 0.89 ESR2 (0.55) ESR2ESR1NR3C1HSD17B1ABCB11
SCHEMBL6228939 0.83 ESR2 (0.59) ESR2ESR1NR3C1HSD17B1ABCB11
SCHEMBL6228937 0.83 ESR2 (0.59) ESR2ESR1NR3C1HSD17B1ABCB11
SCHEMBL4587924 0.83 ESR2 (0.59) ESR2ESR1NR3C1HSD17B1ABCB11
SCHEMBL4587928 0.83 ESR2 (0.59) ESR2ESR1NR3C1HSD17B1ABCB11
SCHEMBL6260842 0.83 ESR1 (0.49) ESR2ESR1NR3C1HSD17B1SOD1
SCHEMBL5682088 0.83 ESR1 (0.49) ESR2ESR1NR3C1HSD17B1SOD1
SCHEMBL1829950 0.78 NR3C1 (0.41) ESR2ESR1NR3C1ABCB11SOD1
SCHEMBL6233082 0.78 NR3C1 (0.41) ESR2ESR1NR3C1HSD17B1ABCB11
SCHEMBL6232522 0.78 NR3C1 (0.41) ESR2ESR1NR3C1ABCB11SOD1

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-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US disclosed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US disclosed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 EP disclosed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 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 (2 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-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 ESR2 2/4885ESR1 3/4885NR3C1 122/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 ESR2 2/4885ESR1 7/4885NR3C1 137/4885

“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.