SCHEMBL966848

SCHEMBL966848

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(OC(C)C(=O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CCNC P24863 3/20 0.35
CDK8 P49336 3/20 0.35
PIM3 Q86V86 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PHGDH O43175 1/20 0.33
PDE4B Q07343 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXAS1 P24557 2/20 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
SCHEMBL966849 1.00 TDP1 (0.36) TDP1CCNCCDK8PIM3POLB
SCHEMBL962379 0.92 PIM3 (0.39) CCNCCDK8PIM3POLBPHGDH
SCHEMBL965488 0.90 POLB (0.34) CCNCCDK8PIM3POLBSMN1; SMN2
SCHEMBL964594 0.90 CCNC (0.35) CCNCCDK8PIM3POLBSMN1; SMN2
SCHEMBL966841 0.88 CCNC (0.38) CCNCCDK8CYP1A2CYP3A4CYP2D6
SCHEMBL963541 0.88 CYP1A2 (0.43) TDP1CCNCCDK8PDE4BCYP1A2
SCHEMBL966599 0.88 ABL1 (0.37) CCNCCDK8PIM3POLBSMN1; SMN2
SCHEMBL961608 0.85 MCL1 (0.38) TDP1CCNCCDK8SMN1; SMN2CYP1A2
SCHEMBL966155 0.84 MEN1 (0.44) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL967493 0.84 CA12 (0.42) CCNCCDK8SMN1; SMN2PHGDHCYP1A2

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 2 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
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 TDP1 3711/4885CCNC 2763/4885CDK8 2641/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TDP1 4227/4885CCNC 3591/4885CDK8 2477/4885

“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.