SCHEMBL1930474

SCHEMBL1930474

CC(C)(CC(O)(CC(=O)Nc1ccc2c(c1)COC2=O)CC1CCCCC1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 17/20 0.77
NR3C1 P04150 15/20 0.77
NR3C2 P08235 7/20 0.77
ALDH1A1 P00352 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1931030 0.90 PGR (0.74) PGRNR3C1NR3C2MAPTKDM4E
SCHEMBL291141 0.87 PGR (1.00) PGRNR3C1NR3C2ALDH1A1
SCHEMBL4439287 0.86 PGR (0.72) PGRNR3C1NR3C2ALDH1A1
SCHEMBL1931135 0.86 PGR (0.74) PGRNR3C1NR3C2MAPTKDM4E
SCHEMBL1932156 0.85 PGR (0.73) PGRNR3C1NR3C2MAPTKDM4E
SCHEMBL1932683 0.84 NR3C1 (0.79) PGRNR3C1NR3C2ALDH1A1MAPT
SCHEMBL1930981 0.83 PGR (0.73) PGRNR3C1NR3C2MAPTKDM4E
SCHEMBL1931759 0.83 NR3C1 (0.67) PGRNR3C1NR3C2ALDH1A1MAPT
SCHEMBL1931908 0.82 PGR (0.75) PGRNR3C1NR3C2MAPTKDM4E
SCHEMBL1932885 0.81 PGR (0.76) PGRNR3C1NR3C2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110137038-A1 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS BAUSCH & LOMB INCORPORATED 2011-06-09 US disclosed
US-20080114172-A1 Synthesis of Selected Stereoisomers of Certain Substituted Alcohols BAUSCH & LOMB INCORPORATED 2008-05-15 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-20080114172-A1 Synthesis of Selected Stereoisomers of Certain Substituted Alcohols ADH1A, ADH1C, CYP2E1 PGR 2372/4885NR3C1 203/4885NR3C2 116/4885
US-20110137038-A1 SYNTHESIS OF SELECTED STEREOISOMERS OF CERTAIN SUBSTITUTED ALCOHOLS ADH1A, ADH1C, CYP2E1 PGR 2372/4885NR3C1 203/4885NR3C2 116/4885

“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.