SCHEMBL3976490

SCHEMBL3976490

COC(=O)C(C)(C)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
NR4A2 P43354 2/20 0.54
SMPD1 P17405 1/20 0.52
FFAR1 O14842 2/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BCHE P06276 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL20905351 0.89 MAOB (0.58) MAOBNR4A2SMPD1FFAR1PDK1
SCHEMBL3976403 0.87 MAOB (0.58) MAOBNR4A2SMPD1FFAR1PDK1
SCHEMBL3656838 0.86 NPC1 (0.56) MAOBNR4A2FFAR1KDM4EMEN1
SCHEMBL27726650 0.82 MAOB (0.47) MAOBNR4A2SMPD1FFAR1PDK1
SCHEMBL6035274 0.81 CACNA1B (0.55) MAOBNR4A2SMPD1PDK1PDK2
SCHEMBL293540 0.81 MMP8 (0.51) MEN1ALDH1A1KMT2APTPN1CYP2D6
SCHEMBL9084746 0.80 PKM (0.55) MAOBNR4A2SMPD1PDK1PDK2
SCHEMBL2240019 0.80 PDK1 (0.54) MAOBNR4A2SMPD1PDK1PDK2
SCHEMBL19776008 0.80 PPARA (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2747599 0.80 SPR (0.48) KDM4EMAPTPKMBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 EP disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (2 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA MAOB 3322/4885NR4A2 102/4885SMPD1 464/4885
US-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA MAOB 3129/4885NR4A2 161/4885SMPD1 356/4885

“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.