SCHEMBL5777587

SCHEMBL5777587

CC(C)(CCO)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
KCNN4 O15554 1/20 0.38
SHBG P04278 1/20 0.38
HSD11B1 P28845 1/20 0.37
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL22458652 0.83 CES2 (0.40)
SCHEMBL186541 0.82 CNR1 (0.42) SMN1; SMN2RAB9AMEN1NPC1MAPT
SCHEMBL12712581 0.81 TNKS (0.40) SMN1; SMN2RAB9AMEN1NPC1MAPT
SCHEMBL907558 0.81 TNKS (0.40) SMN1; SMN2RAB9AMEN1NPC1MAPT
SCHEMBL13571355 0.80 TSHR (0.48) SMN1; SMN2RAB9ANPC1MAPTCYP3A4
SCHEMBL19232109 0.80 CNR2 (0.42) SMN1; SMN2RAB9AMEN1NPC1MAPT
SCHEMBL27780544 0.80 SHBG (0.59) MEN1KMT2ACYP3A4SHBGESR1
SCHEMBL19441058 0.78 TAAR1 (0.50) SMN1; SMN2MEN1MAPK1HTTKMT2A
SCHEMBL27626506 0.77 POLB (0.37) SMN1; SMN2RAB9ANPC1MAPTMAPK1
SCHEMBL873051 0.77 TAAR1 (0.54) SMN1; SMN2MAPTMAPK1KMT2ACYP3A4

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 SMN1; SMN2 3005/4885RAB9A 3602/4885MEN1 1192/4885

“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.