SCHEMBL6044462

SCHEMBL6044462

CC(C)[C@H](CO)Cc1ccc(C(C)(C)C)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
REN P00797 10/20 0.44
MMP1 P03956 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC2A1 P11166 1/20 0.39
BCHE P06276 2/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL6044614 1.00 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6044456 1.00 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL4642584 0.79 ALOX5AP (0.55) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6949100 0.78 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6940748 0.78 ALOX5AP (0.48) ALOX5APRXRARXRBRXRGMRGPRX4
SCHEMBL6044140 0.78 REN (0.48) RENSLC2A1BCHE
SCHEMBL6045096 0.78 REN (0.48) RENSLC2A1BCHE
SCHEMBL6044629 0.77 CYP4F2 (0.57) BCHE
SCHEMBL6044633 0.77 CYP4F2 (0.57) BCHE
SCHEMBL22027685 0.76 MMP1 (0.58) MMP1CYP3A4BCHE

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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US 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 ALOX5AP 449/4885RXRA 102/4885RXRB 156/4885

“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.