SCHEMBL4587946

SCHEMBL4587946

C[C@]12CC[C@@H]3c4ccc(OC5CCCCO5)cc4CC[C@H]3[C@@H]1C[C@@H](OC1CCCCO1)[C@@H]2F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.71
LMNA P02545 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 5/20 0.44
PGR P06401 3/20 0.44
ATM Q13315 2/20 0.44
ABCC4 O15439 2/20 0.44
AR P10275 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ABCC1 P33527 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11672788 0.84 HSD11B1 (0.78) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL18798683 0.84 HSD11B1 (0.78) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL3649589 0.84 HSD11B1 (0.78) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL806082 0.84 HSD11B1 (0.78) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL13268578 0.83 HSD11B1 (1.00) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL4590174 0.82 HSD11B1 (0.64) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL11761791 0.81 HSD11B1 (0.68) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL4588779 0.81 HSD11B1 (0.65) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL16595029 0.80 HSD11B1 (0.67) HSD11B1LMNAHSD17B10MAPTCYP2C9
SCHEMBL18467833 0.80 HSD11B1 (0.67) HSD11B1LMNAHSD17B10MAPTCYP2C9

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 3 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

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 1916/4885HSD17B10 222/4885

“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.