SCHEMBL2246552

SCHEMBL2246552

Cc1ccc(C(C)(C)C)c(OCCO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 6/20 0.55
MRGPRX4 Q96LA9 1/20 0.50
CYP2C9 P11712 3/20 0.43
TSHR P16473 2/20 0.43
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
PPARG P37231 1/20 0.43
HTR2B P41595 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
ALDH1A1 P00352 5/20 0.42

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
SCHEMBL14850363 0.83 L3MBTL1 (0.61) L3MBTL1HTTKDM4EMRGPRX4CYP2C9
SCHEMBL25791644 0.83 KDM4E (0.44) L3MBTL1HTTKDM4ESMN1; SMN2TDP1
SCHEMBL14850071 0.81 L3MBTL1 (0.59) L3MBTL1HTTKDM4EMRGPRX4CYP2C9
SCHEMBL398815 0.81 KDM4E (0.41) L3MBTL1HTTKDM4EMRGPRX4TSHR
SCHEMBL11645998 0.81 LMNA (0.44) L3MBTL1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9197507 0.81 TSHR (0.59) L3MBTL1HTTKDM4EMRGPRX4CYP2C9
SCHEMBL13064444 0.80 L3MBTL1 (0.54) L3MBTL1HTTKDM4EMRGPRX4CYP2C9
SCHEMBL2240666 0.80 KDM4E (0.63) L3MBTL1HTTKDM4EMRGPRX4CYP2C9
SCHEMBL9596753 0.80 L3MBTL1 (0.51) L3MBTL1HTTKDM4ECYP2C9TSHR
SCHEMBL17207217 0.79 L3MBTL1 (0.52) L3MBTL1HTTKDM4EMRGPRX4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 L3MBTL1 4869/4885HTT 2802/4885KDM4E 3673/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 L3MBTL1 4869/4885HTT 2802/4885KDM4E 3673/4885

“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.