SCHEMBL4589686

SCHEMBL4589686

COc1ccc2c(c1)CCC1C2CC[C@]2(C)C[C@H](CC(=O)O)CC12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
HSD17B1 P14061 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.56
ESR1 P03372 6/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PGR P06401 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
NR3C1 P04150 1/20 0.52
CNR1 P21554 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
STS P08842 4/20 0.48

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
SCHEMBL4589680 1.00 LMNA (0.57) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL15308956 0.87 LMNA (0.59) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL5682160 0.85 SHBG (0.46) LMNAHSD17B1SMN1; SMN2MAPTHSD17B10
SCHEMBL5677557 0.83 LMNA (0.66) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL5677654 0.83 LMNA (0.66) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL2712497 0.83 LMNA (0.63) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL5682212 0.83 LMNA (0.66) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL5682234 0.83 LMNA (0.66) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL11219740 0.83 LMNA (0.66) LMNAHSD17B1SMN1; SMN2MAPTRECQL
SCHEMBL10079795 0.81 LMNA (0.62) LMNAHSD17B1SMN1; SMN2MAPTRECQL

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 6 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
EP-1517914-A2 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN Schering Aktiengesellschaft (DE) 2005-03-30 EP disclosed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US disclosed
WO-2003104253-A2 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 2003-12-18 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 (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 LMNA 1916/4885HSD17B1 31/4885SMN1; SMN2 4049/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 LMNA 1946/4885HSD17B1 17/4885SMN1; SMN2 4247/4885

“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.