SCHEMBL4774780

SCHEMBL4774780

COC(=O)CC(O)(CC(C)(C)c1cc(C)ccc1OC)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.57
NR3C2 P08235 10/20 0.55
PGR P06401 2/20 0.51

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
SCHEMBL4774775 1.00 NR3C1 (0.57) NR3C1NR3C2PGR
SCHEMBL14587242 0.88 NR3C1 (0.64) NR3C1NR3C2
SCHEMBL13632723 0.87 NR3C1 (0.50) NR3C1NR3C2
SCHEMBL14064836 0.87 NR3C1 (0.50) NR3C1NR3C2
SCHEMBL4466741 0.77 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL379422 0.77 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL4772164 0.77 NR3C1 (0.69) NR3C1NR3C2
SCHEMBL4772156 0.77 NR3C1 (0.69) NR3C1NR3C2
SCHEMBL379423 0.77 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL13632709 0.76 NR3C1 (0.52) NR3C1NR3C2

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
EP-1727818-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMA (US) 2008-07-23 EP disclosed
US-7179919-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
EP-1727818-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2005090343-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050209488-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209488-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols ADH1A, ADH1C, ADH5 NR3C1 132/4885NR3C2 38/4885PGR 2589/4885

“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.