SCHEMBL6044633

SCHEMBL6044633

CC(C)[C@H](CO)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
MAOB P27338 4/20 0.53
BCHE P06276 6/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
PTGES O14684 1/20 0.49

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
SCHEMBL6044629 1.00 CYP4F2 (0.57) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL3752181 0.86 MAOB (0.53) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL3752175 0.86 MAOB (0.53) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL9845668 0.85 CYP4F2 (0.60) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL6624802 0.82 CYP4F2 (0.59) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL17386027 0.82 CYP4F2 (0.59) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL321092 0.82 MAOB (0.62) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL2747423 0.80 TAAR1 (0.65) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL30211131 0.80 TAAR1 (0.65) CYP4F2CYP4A11MAOBBCHEKMT2A
SCHEMBL21583868 0.80 TAAR1 (0.65) CYP4F2CYP4A11MAOBBCHEKMT2A

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 8 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
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP 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
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP 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 CYP4F2 2904/4885CYP4A11 705/4885MAOB 418/4885

“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.