SCHEMBL5797845

SCHEMBL5797845

COc1c(C)cc(C)cc1C(C)(C)CC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
NR3C1 P04150 2/20 0.31
NR3C2 P08235 2/20 0.31
GLA P06280 1/20 0.31
NPC1 O15118 1/20 0.30
PGR P06401 1/20 0.30
MEN1 O00255 2/20 0.30
PTPN1 P18031 1/20 0.30
ACHE P22303 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL4466741 0.77 NR3C1 (0.45) ALDH1A1L3MBTL1NR3C1NR3C2PGR
SCHEMBL5780370 0.75 ALDH1A1 (0.36) ALDH1A1KMT2AL3MBTL1NR3C1NR3C2
SCHEMBL14159637 0.73 NR3C1 (0.40) NR3C1NR3C2PGR
SCHEMBL17286719 0.72 ACHE (0.35) ALDH1A1MAPTKDM4ENR3C1NR3C2
SCHEMBL31588907 0.70 ALDH1A1 (0.46) ALDH1A1NR3C1NR3C2PTPN1ACHE
SCHEMBL14594236 0.70 ALDH1A1 (0.46) ALDH1A1NR3C1NR3C2PTPN1ACHE
SCHEMBL5515724 0.70 CTSS (0.37) ALDH1A1KMT2AKDM4ENR3C1NR3C2
SCHEMBL17287110 0.70 SMN1; SMN2 (0.46) ALDH1A1KMT2AMAPTKDM4ENPSR1
SCHEMBL1492575 0.69 NR3C1 (0.42) ALDH1A1KMT2AKDM4ENPSR1GAA
SCHEMBL6674743 0.69 ACHE (0.41) ALDH1A1L3MBTL1MAPTKDM4ENR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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 (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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 3621/4885KMT2A 4501/4885L3MBTL1 3731/4885

“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.