SCHEMBL4490474

SCHEMBL4490474

CC(C)(CC1(C(F)(F)F)CO1)c1cccc(C2(C)OCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ICMT O60725 2/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
LMNA P02545 3/20 0.32
KCNN4 O15554 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KDM1A O60341 2/20 0.31
MEN1 O00255 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL4470792 0.79 CA1 (0.38) SLC6A4SLC6A3SLC6A2LMNAMAPT
SCHEMBL4820536 0.77 TAAR1 (0.41) LMNATSHRMAPK1
SCHEMBL12549428 0.77 TAAR1 (0.41) LMNATSHRMAPK1
SCHEMBL4469933 0.76 HCAR3 (0.36) SMN1; SMN2L3MBTL1ICMTSLC6A4SLC6A3
SCHEMBL4480831 0.74 LMNA (0.39) SMN1; SMN2LMNAGAAKDM1A
SCHEMBL4475155 0.67
SCHEMBL4946908 0.66 TSHR (0.41) SMN1; SMN2L3MBTL1SLC6A3SLC6A2LMNA
SCHEMBL1716402 0.65 NR3C1 (0.33) L3MBTL1GAA
SCHEMBL1716403 0.65 NR3C1 (0.33) L3MBTL1GAA
SCHEMBL1716857 0.64 ALDH1A1 (0.33) LMNATSHRMEN1KMT2A

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-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R SMN1; SMN2 2853/4885L3MBTL1 4416/4885ICMT 4869/4885

“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.