SCHEMBL4469933

SCHEMBL4469933

CC(C)(CC(=O)C(F)(F)F)c1cccc(C2(C)OCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 2/20 0.36
CCR2 P41597 2/20 0.36
BACE1 P56817 5/20 0.35
CTSD P07339 3/20 0.35
ACHE P22303 1/20 0.34
OPRM1 P35372 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OPRL1 P41146 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ICMT O60725 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4490474 0.76 SMN1; SMN2 (0.33) HCAR3HCAR2LMNASMN1; SMN2L3MBTL1
SCHEMBL1634091 0.75 CES2 (0.47) ACHESMN1; SMN2RAB9A
SCHEMBL1492520 0.73 CA1 (0.44) LMNABACE1ACHESMN1; SMN2L3MBTL1
SCHEMBL4483633 0.72 ALDH1A1 (0.42) LMNAACHESMN1; SMN2NPC1RAB9A
SCHEMBL1635233 0.70 PDK1 (0.44) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7508753 0.68 ALDH1A1 (0.45) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1634010 0.67 PTPN1 (0.49) SMN1; SMN2KDM4ESLC6A4SLC6A3
SCHEMBL1706213 0.67 MTNR1A (0.36) HCAR3HCAR2LMNASMN1; SMN2NPC1
SCHEMBL1706364 0.66 AKR1B1 (0.43) HCAR3HCAR2LMNAKDM4E
SCHEMBL28802172 0.66 CTSD (0.35) HCAR3HCAR2LMNABACE1CTSD

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 HCAR3 182/4885HCAR2 318/4885LMNA 2854/4885

“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.