SCHEMBL4480831

SCHEMBL4480831

CC(C)(CC1(C(F)(F)F)CO1)c1cccc(C2OCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR1A P08908 2/20 0.33
HTR2B P41595 2/20 0.33
CHRM2 P08172 1/20 0.33
DRD3 P35462 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KIF11 P52732 2/20 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 0.76 CA1 (0.38) LMNAALDH1A1NPSR1KIF11
SCHEMBL4483633 0.75 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4820536 0.74 TAAR1 (0.41) LMNAALDH1A1HTT
SCHEMBL12549428 0.74 TAAR1 (0.41) LMNAALDH1A1HTT
SCHEMBL11937217 0.74 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL4490474 0.74 SMN1; SMN2 (0.33) LMNASMN1; SMN2GAAKDM1A
SCHEMBL3654667 0.71 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL5802318 0.70 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2HTTHTR1A
SCHEMBL4475155 0.69
SCHEMBL3652057 0.69 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2HTTGAA

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 LMNA 2854/4885ALDH1A1 2975/4885SMN1; SMN2 2853/4885

“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.