SCHEMBL963941

SCHEMBL963941

Cc1nn(C)c(-c2cccc3ccccc23)c1/C=C/C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RX3 P56373 1/20 0.45
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTR2C P28335 2/20 0.38
HCRTR1 O43613 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL963943 1.00 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL4554067 0.82 HTR2C (0.37) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL965204 0.82 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL965207 0.82 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL963049 0.82 ERN1 (0.42) ALDH1A1GAAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL966986 0.81 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL966984 0.81 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL961910 0.80 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL961908 0.80 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL963861 0.78 ALDH1A1 (0.51) 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 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.