SCHEMBL966253

SCHEMBL966253

CCOc1ccc2ccn(-c3c(C=CC(=O)O)c(C)nn3C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MCL1 Q07820 3/20 0.36
ACSS2 Q9NR19 1/20 0.35
P2RX3 P56373 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL966251 1.00 ALDH1A1 (0.42) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL966841 0.91 CCNC (0.38) KDM4EMAPTTSHRHSD17B10CYP1A2
SCHEMBL4553461 0.90 ALDH1A1 (0.40) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL4553457 0.90 ALDH1A1 (0.40) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL965631 0.90 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1MCL1MEN1
SCHEMBL965630 0.90 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1MCL1MEN1
SCHEMBL966514 0.89 ALDH1A1 (0.44) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL966513 0.89 ALDH1A1 (0.44) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL963158 0.89 PTGER3 (0.47) ALDH1A1GAAKDM4EMCL1P2RX3
SCHEMBL963155 0.89 PTGER3 (0.47) ALDH1A1GAAKDM4EMCL1P2RX3

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 76/4885KDM4E 1314/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ALDH1A1 821/4885GAA 1120/4885KDM4E 1776/4885

“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.