SCHEMBL3976403

SCHEMBL3976403

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
NR4A2 P43354 2/20 0.57
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
FFAR1 O14842 2/20 0.53
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMPD1 P17405 1/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 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
BCHE P06276 1/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 2/20 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 0.87 MAOB (0.58) MAOBNR4A2CYP4F2CYP4A11FFAR1
SCHEMBL3976490 0.87 MAOB (0.55) MAOBNR4A2CYP4F2CYP4A11FFAR1
SCHEMBL5326113 0.85 PPARG (0.59) MAOBNR4A2CYP4F2CYP4A11FFAR1
SCHEMBL5533396 0.84 PPARA (0.49) FFAR1TSHRRAB9A
SCHEMBL12802274 0.83 CYP1A2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL278432 0.83 MAOB (0.62) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL9434980 0.81 MAOB (0.59) MAOBNR4A2CYP4F2CYP4A11FFAR1
SCHEMBL14740848 0.81 CYP1A2 (0.45) SMN1; SMN2KDM4EALDH1A1MEN1GAA
SCHEMBL6036145 0.79 PKM (0.60) MAOBNR4A2CYP4F2CYP4A11SMPD1
SCHEMBL29368049 0.79 CYP1A2 (0.44) SMN1; SMN2KDM4EALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
WO-2019075259-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS CORNELL UNIVERSITY (US) 2019-04-18 WO disclosed
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 (3 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-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 MAOB 1987/4885NR4A2 1584/4885CYP4F2 3856/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA MAOB 3322/4885NR4A2 102/4885CYP4F2 255/4885
US-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA MAOB 3129/4885NR4A2 161/4885CYP4F2 213/4885

“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.