SCHEMBL3683530

SCHEMBL3683530

CCOC(=O)/C=C/c1ccc(-n2ccnc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.57
CDK8 P49336 6/20 0.57
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
CDK19 Q9BWU1 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CNR2 P34972 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL3683531 1.00 CCNC (0.57) CCNCCDK8TTRDPP4CDK19
SCHEMBL3678455 0.85 CCNC (0.52) CCNCCDK8MEN1KMT2ABACE1
SCHEMBL3678452 0.85 CCNC (0.52) CCNCCDK8MEN1KMT2ABACE1
SCHEMBL3680910 0.81 TTR (0.49) TTRDPP4NPC1RAB9AKDM4E
SCHEMBL3683659 0.80 CCNC (0.44) CCNCCDK8KDM4EALDH1A1P2RY12
SCHEMBL31408755 0.76 TTR (0.64) CCNCCDK8TTRDPP4NPC1
SCHEMBL2906674 0.76 TTR (0.64) CCNCCDK8TTRDPP4NPC1
SCHEMBL6552271 0.76 TTR (0.64) CCNCCDK8TTRDPP4NPC1
SCHEMBL4866988 0.76 TTR (0.64) CCNCCDK8TTRDPP4NPC1
SCHEMBL5752989 0.76 CCNC (0.56) CCNCCDK8TTRDPP4CDK19

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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885TTR 3315/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885TTR 3315/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CCNC 3082/4885CDK8 4033/4885TTR 3315/4885

“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.