SCHEMBL4588779

SCHEMBL4588779

C[C@]12CC[C@@H]3c4ccc(OC5CCCCO5)cc4CC[C@H]3[C@@H]1C[C@@H](OC1CCCCO1)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.65
LMNA P02545 5/20 0.47
ESR1 P03372 5/20 0.47
MAPT P10636 3/20 0.47
NR3C1 P04150 2/20 0.47
PGR P06401 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
STS P08842 4/20 0.46
SHBG P04278 1/20 0.42
HSD17B1 P14061 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ABCC4 O15439 2/20 0.40
ABCC1 P33527 2/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL4589254 0.88 HSD11B1 (0.61) HSD11B1LMNAESR1MAPTNR3C1
SCHEMBL5986176 0.85 HSD11B1 (0.72) HSD11B1LMNAESR1MAPTNR3C1
SCHEMBL18798683 0.82 HSD11B1 (0.78) HSD11B1LMNAESR1MAPTPGR
SCHEMBL3649589 0.82 HSD11B1 (0.78) HSD11B1LMNAESR1MAPTPGR
SCHEMBL806082 0.82 HSD11B1 (0.78) HSD11B1LMNAESR1MAPTPGR
SCHEMBL4590174 0.81 HSD11B1 (0.64) HSD11B1LMNAESR1MAPTNR3C1
SCHEMBL4587946 0.81 HSD11B1 (0.71) HSD11B1LMNAESR1MAPTNR3C1
SCHEMBL16595029 0.80 HSD11B1 (0.67) HSD11B1LMNAESR1MAPTNR3C1
SCHEMBL18467832 0.80 HSD11B1 (0.67) HSD11B1LMNAESR1MAPTNR3C1
SCHEMBL18467833 0.80 HSD11B1 (0.67) HSD11B1LMNAESR1MAPTNR3C1

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 5 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
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 (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-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 HSD11B1 61/4885LMNA 1916/4885ESR1 3/4885

“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.