SCHEMBL962698

SCHEMBL962698

COCC(C)Oc1ccc2ccn(-c3c(C=CC(=O)O)c(C)nn3C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GCK P35557 12/20 0.36
PIM3 Q86V86 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DYRK1A Q13627 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL962695 1.00 ABL1 (0.38) ABL1ALDH1A1GAAL3MBTL1GCK
SCHEMBL4553930 0.91 ALDH1A1 (0.40) ABL1ALDH1A1GAAL3MBTL1GCK
SCHEMBL4553929 0.91 ALDH1A1 (0.40) ABL1ALDH1A1GAAL3MBTL1GCK
SCHEMBL966599 0.91 ABL1 (0.37) ABL1GCKPIM3SMN1; SMN2
SCHEMBL964065 0.89 PIM3 (0.43) ABL1ALDH1A1GAAL3MBTL1GCK
SCHEMBL964067 0.89 PIM3 (0.43) ABL1ALDH1A1GAAL3MBTL1GCK
SCHEMBL965630 0.87 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL965631 0.87 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1HTR2AHTR2C
SCHEMBL966513 0.87 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL966514 0.87 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1NPC1RAB9A

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 ABL1 3662/4885ALDH1A1 421/4885GAA 76/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ABL1 4132/4885ALDH1A1 821/4885GAA 1120/4885

“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.