SCHEMBL2240647

SCHEMBL2240647

C=C(C)c1cc(C(=O)OC)ccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
HDAC1 Q13547 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL8658786 0.87 KDM4E (0.54) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL3903320 0.86 NOTUM (0.61) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL4678256 0.84 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL12251394 0.81 KDM4E (0.44) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL17892448 0.80 KDM4E (0.59) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL805447 0.80 GAA (0.46) KDM4EALDH1A1GAACA1CA2
SCHEMBL13440125 0.80 NOTUM (0.56) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL8308995 0.79 TNFRSF1A (0.43) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL21216702 0.78 ALDH1A1 (0.60) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL14423048 0.78 MAPT (0.57) KDM4EALDH1A1MAPTHSD17B10HPGD

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 NOTUM 3207/4885KDM4E 3673/4885ALDH1A1 1814/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 NOTUM 3207/4885KDM4E 3673/4885ALDH1A1 1814/4885

“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.