SCHEMBL1716403

SCHEMBL1716403

Cc1ccccc1C(C)(C)CC1(C(F)(F)F)CO1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.33
NR3C2 P08235 2/20 0.33
PGR P06401 1/20 0.33
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL1716402 1.00 NR3C1 (0.33) NR3C1NR3C2PGRTDP1L3MBTL1
SCHEMBL1716860 0.81 NR3C1 (0.40) NR3C1NR3C2PGR
SCHEMBL1716520 0.81 HDAC3 (0.31) NR3C1
SCHEMBL1716857 0.80 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL1716028 0.80 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL1953266 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4820536 0.79 TAAR1 (0.41) ALDH1A1
SCHEMBL12549428 0.79 TAAR1 (0.41) ALDH1A1
SCHEMBL1492614 0.77 PDK2 (0.39) NR3C1PDK2
SCHEMBL4428734 0.77 PDK2 (0.39) NR3C1PDK2

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-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 187/4885

“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.