SCHEMBL2496071

SCHEMBL2496071

CCC(C)(c1cccc(OCc2ccccc2)c1)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PKM P14618 1/20 0.41
CACNA1B Q00975 1/20 0.41
BCHE P06276 2/20 0.40
KCNE1 P15382 2/20 0.40
KCNQ1 P51787 2/20 0.40
NR4A2 P43354 2/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
LIPC P11150 1/20 0.40
ACHE P22303 1/20 0.40
LIPE Q05469 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
MAOA P21397 1/20 0.40
GRM5 P41594 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL3097423 0.76 GLA (0.52) MAOBTNKS2BCHENR4A2FAAH
SCHEMBL13930902 0.74 MAOB (0.57) MAOBPKMCACNA1BBCHENR4A2
SCHEMBL78171 0.72 MAOB (0.62) MAOBPKMCACNA1BBCHENR4A2
SCHEMBL1486473 0.72 FFAR1 (0.46) MAOBPKMBCHEFAAHMGLL
SCHEMBL23923538 0.72 MAOB (0.54) MAOBPKMCACNA1BBCHENR4A2
Formaldehyde SCHEMBL27492762 0.71 NR4A2 (0.58) MAOBPKMCACNA1BBCHENR4A2
SCHEMBL17780993 0.71 MAOB (0.42) MAOBPKMNR4A2FAAHMGLL
SCHEMBL311212 0.71 MAOB (0.42) MAOBPKMNR4A2FAAHMGLL
SCHEMBL10474017 0.71 MAOB (0.60) MAOBPKMCACNA1BBCHENR4A2
SCHEMBL10472144 0.70 MAOB (0.58) MAOBPKMCACNA1BBCHENR4A2

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-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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 (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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 MAOB 2736/4885TNKS2 3771/4885PKM 2037/4885

“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.