SCHEMBL5779186

SCHEMBL5779186

CC(C)(C)c1ccc(OCc2ccccc2)c(C(C)(C)CC(=O)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.49
RXRA P19793 5/20 0.48
RXRB P28702 5/20 0.48
RXRG P48443 5/20 0.48
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL5802094 0.84 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRG
SCHEMBL5800764 0.84 GCK (0.45) MRGPRX4RXRARXRBRXRG
SCHEMBL769740 0.81 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL12772068 0.79 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL5780033 0.79 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL15756224 0.79 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL5781307 0.78 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL769235 0.76 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL16544525 0.76 HTR2C (0.48) MRGPRX4RXRARXRBRXRGRAB9A
SCHEMBL17141583 0.74 RXRA (0.59) MRGPRX4RXRARXRBRXRGLRRK2

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 MRGPRX4 30/4885RXRA 616/4885RXRB 488/4885

“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.