SCHEMBL4587609

SCHEMBL4587609

C=C[C@]12CC[C@]3(C)C[C@H](OC(=O)CCCC)C[C@H]3[C@@H]1CCc1cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 4/20 0.47
CYP3A4 P08684 4/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 2/20 0.47
ESR1 P03372 2/20 0.47
PGR P06401 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
AR P10275 2/20 0.47
PTGS1 P23219 2/20 0.47
PDE3A Q14432 2/20 0.47
POLB P06746 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
ATM Q13315 1/20 0.47
USP2 O75604 1/20 0.47
NR3C1 P04150 2/20 0.38

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
SCHEMBL4589116 0.87 MAPK1 (0.41) MAPTLMNAKMT2ACYP3A4MEN1
SCHEMBL3851828 0.79 CA2 (0.40) ESR1SOD1
SCHEMBL1829950 0.78 NR3C1 (0.41) MAPTLMNAKMT2ACYP3A4MEN1
SCHEMBL6232518 0.78 NR3C1 (0.41) MAPTLMNAKMT2ACYP3A4MEN1
SCHEMBL6232522 0.78 NR3C1 (0.41) MAPTLMNAKMT2ACYP3A4MEN1
SCHEMBL5172821 0.77 CA2 (0.41) LMNAESR1SOD1
SCHEMBL2214509 0.77 CA2 (0.41) LMNAESR1SOD1
SCHEMBL3849688 0.77 SOD1 (0.35) ESR1NR3C1SOD1NR1H2NR1H3
SCHEMBL4589710 0.72 NR3C1 (0.40) ESR1PGRARNR3C1
SCHEMBL4589711 0.72 NR3C1 (0.40) ESR1PGRARNR3C1

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 8 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 claimed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US claimed
EP-1517914-B1 9-ALPHA-SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGEN SCHERING AG (DE) 2005-08-31 EP claimed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US claimed
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 MAPT 3859/4885LMNA 1916/4885KMT2A 4020/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 MAPT 4118/4885LMNA 1946/4885KMT2A 3616/4885

“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.