SCHEMBL963149

SCHEMBL963149

Cc1nn(C)c(-n2ccc3ccc(OCC4CC4)cc32)c1/C=C/C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 4/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 1/20 0.34
MCL1 Q07820 2/20 0.33
CYP2C9 P11712 1/20 0.33
ACACA Q13085 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL963150 1.00 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1ACACBMTNR1A
SCHEMBL962073 0.91 ACACB (0.36) ACACBMTNR1AMTNR1BMCL1CYP2C9
SCHEMBL966251 0.88 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1MCL1
SCHEMBL966253 0.88 ALDH1A1 (0.42) ALDH1A1GAAL3MBTL1MCL1
SCHEMBL4553461 0.86 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1MCL1
SCHEMBL4553457 0.86 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1MCL1
SCHEMBL965630 0.85 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1MCL1
SCHEMBL965631 0.85 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1MCL1
SCHEMBL962076 0.85 ACACB (0.38) ACACBMTNR1AMTNR1BMCL1SLC16A3
SCHEMBL962075 0.85 ACACB (0.38) ACACBMTNR1AMTNR1BMCL1SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ALDH1A1 421/4885GAA 76/4885L3MBTL1 2943/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885L3MBTL1 3858/4885

“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.