SCHEMBL5778498

SCHEMBL5778498

CC(C)(CCO)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.55
LMNA P02545 3/20 0.54
USP28 Q96RU2 1/20 0.52
USP25 Q9UHP3 1/20 0.52
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.48
SLC6A4 P31645 1/20 0.47
RAB9A P51151 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
USP2 O75604 1/20 0.44
LRRK2 Q5S007 2/20 0.43
MAOB P27338 1/20 0.42
PTGER1 P34995 2/20 0.42
CYP1A2 P05177 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL5780033 0.84 MRGPRX4 (0.48) CCR5LMNAUSP28USP25ALDH1A1
SCHEMBL5367447 0.83 PTGDR2 (0.60) CCR5LMNAUSP28USP25HTT
SCHEMBL5777462 0.82 GCK (0.44) CCR5LMNAUSP28USP25HTT
SCHEMBL6530691 0.79 PTGDR2 (0.56) CCR5LMNAUSP28USP25HTT
SCHEMBL3726426 0.77 PTGER1 (0.54) CCR5LMNAUSP28USP25HTT
SCHEMBL30955958 0.77 PTGER1 (0.54) CCR5LMNAUSP28USP25HTT
SCHEMBL1783154 0.75 PTGDR2 (0.51) CCR5LMNAUSP28USP25HTT
SCHEMBL15912886 0.75 ALOX5AP (0.54) CCR5LMNAUSP28USP25HTT
SCHEMBL6529321 0.73 MRGPRX4 (0.49) CCR5LMNAUSP28USP25ALDH1A1
SCHEMBL16294248 0.73 USP28 (0.69) CCR5LMNAUSP28USP25HTT

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 CCR5 436/4885LMNA 3037/4885USP28 2870/4885

“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.