SCHEMBL4944641

SCHEMBL4944641

COc1ccc(F)cc1C(C)(CNc1ccc2c(c1)COC2=O)CC(C)(O)CC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.61
PGR P06401 15/20 0.61
NR3C2 P08235 9/20 0.61
ALDH1A1 P00352 1/20 0.39
IMPDH2 P12268 1/20 0.38
MAPT P10636 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4942036 0.90 PGR (0.67) NR3C1PGRNR3C2ALDH1A1
SCHEMBL4944636 0.88 NR3C1 (0.75) NR3C1PGRNR3C2ALDH1A1IMPDH2
SCHEMBL4936651 0.86 NR3C1 (0.71) NR3C1PGRNR3C2
SCHEMBL4936659 0.85 NR3C1 (0.70) NR3C1PGRNR3C2
SCHEMBL4433655 0.85 NR3C1 (0.68) NR3C1PGRNR3C2IMPDH2
SCHEMBL4945232 0.84 NR3C1 (0.67) NR3C1PGRNR3C2IMPDH2MAPT
SCHEMBL4941804 0.84 NR3C1 (0.62) NR3C1PGRNR3C2IMPDH2MAPT
SCHEMBL4944510 0.83 NR3C1 (0.67) NR3C1PGRNR3C2MAPT
SCHEMBL4943669 0.83 NR3C1 (0.65) NR3C1PGRNR3C2
SCHEMBL7961842 0.83 NR3C1 (0.79) NR3C1PGRNR3C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols BAUSCH & LOMB INCORPORATED 2008-07-17 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 (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-20080171873-A1 Synthesis of selected stereoisomers of certain substituted alcohols ADH1A, ADH1C, ADH5 NR3C1 74/4885PGR 3574/4885NR3C2 37/4885

“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.