SCHEMBL965631

SCHEMBL965631

COCCOc1ccc2ccn(-c3c(C=CC(=O)O)c(C)nn3C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 10/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MET P08581 1/20 0.37
NR3C1 P04150 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DYRK1A Q13627 1/20 0.35
TBXAS1 P24557 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL965630 1.00 ALDH1A1 (0.40) ALDH1A1GAAMCL1L3MBTL1MET
SCHEMBL963486 0.90 MCL1 (0.37) MCL1METNR3C1KMT2A
SCHEMBL966251 0.90 ALDH1A1 (0.42) ALDH1A1GAAMCL1L3MBTL1PPARG
SCHEMBL966253 0.90 ALDH1A1 (0.42) ALDH1A1GAAMCL1L3MBTL1PPARG
SCHEMBL966514 0.88 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL966513 0.88 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL4553457 0.88 ALDH1A1 (0.40) ALDH1A1GAAMCL1L3MBTL1HTR2A
SCHEMBL4553461 0.88 ALDH1A1 (0.40) ALDH1A1GAAMCL1L3MBTL1HTR2A
SCHEMBL962695 0.87 ABL1 (0.38) ALDH1A1GAAMCL1L3MBTL1HTR2A
SCHEMBL962698 0.87 ABL1 (0.38) ALDH1A1GAAMCL1L3MBTL1HTR2A

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 76/4885MCL1 3194/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885MCL1 3693/4885

“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.