SCHEMBL6044531

SCHEMBL6044531

CC(=O)Oc1cc(CBr)ccc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.49
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
PTGS1 P23219 2/20 0.44
NR1H4 Q96RI1 3/20 0.39
EPHX2 P34913 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7658382 0.82 CFD (0.56) CFDCYP4F2CYP4A11PTGS1KDM4E
SCHEMBL6403165 0.79 CFD (0.62) CFDCYP4F2CYP4A11PTGS1KDM4E
SCHEMBL22140246 0.79 PTGDR2 (0.49) CFDPTGS1NR1H4KDM4EHSD17B10
SCHEMBL8812831 0.78 NR1H4 (0.46) PTGS1NR1H4EPHX2KDM4EALDH1A1
SCHEMBL10728499 0.78 CYP4F2 (0.51) CFDCYP4F2CYP4A11PTGS1KDM4E
SCHEMBL20734904 0.78 PTGS1 (0.57) CFDCYP4F2CYP4A11PTGS1ALDH1A1
SCHEMBL7650416 0.78 PTGS1 (0.66) CFDCYP4F2CYP4A11PTGS1ALDH1A1
SCHEMBL6401352 0.78 CFD (0.79) CFDCYP4F2CYP4A11PTGS1KDM4E
SCHEMBL6045218 0.77 MRGPRX4 (0.48) CFDPTGS1NR1H4KDM4EHSD17B10
SCHEMBL652962 0.77 CFD (0.44) CFDCYP4F2CYP4A11PTGS1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 CFD 4482/4885CYP4F2 2904/4885CYP4A11 705/4885

“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.