SCHEMBL3882399

SCHEMBL3882399

COc1ccc(F)cc1C(C)(C)CCl

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.53
NR3C1 P04150 19/20 0.53
PGR P06401 2/20 0.50

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
SCHEMBL4476721 0.81 ACHE (0.48) NR3C2NR3C1PGR
SCHEMBL4483365 0.80 NR3C2 (0.54) NR3C2NR3C1PGR
SCHEMBL14587244 0.80 NR3C2 (0.54) NR3C2NR3C1PGR
SCHEMBL278306 0.80 NR3C2 (0.49) NR3C2NR3C1
SCHEMBL5655096 0.79 SMN1; SMN2 (0.42) NR3C2NR3C1
SCHEMBL1634784 0.79 NR3C2 (0.53) NR3C2NR3C1
SCHEMBL4473438 0.79 NR3C2 (0.53) NR3C2NR3C1PGR
SCHEMBL5406149 0.79 NR3C2 (0.56) NR3C2NR3C1PGR
SCHEMBL4309317 0.77 NR3C2 (0.54) NR3C2NR3C1PGR
SCHEMBL16579352 0.77 NR3C2 (0.47) NR3C2NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507843-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-24 US disclosed
US-7507843-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-24 US disclosed
US-7507843-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-24 US disclosed
EP-1727818-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMA (US) 2008-07-23 EP disclosed
EP-1727818-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMA (US) 2008-07-23 EP disclosed
EP-1675839-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMA (US) 2007-07-11 EP disclosed
US-7179919-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179919-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-20 US 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
EP-1675839-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-07-05 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
US-20050131241-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005040145-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-06 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 (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-20050131241-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols CBR3, ADH1C, C5 NR3C2 85/4885NR3C1 261/4885PGR 2489/4885
US-20050209488-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols ADH1A, ADH1C, ADH5 NR3C2 38/4885NR3C1 132/4885PGR 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.