SCHEMBL13355271

SCHEMBL13355271

CCOC(=O)c1ccccc1COC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
KDM4E B2RXH2 5/20 0.57
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 3/20 0.49
CDC25B P30305 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL5610694 0.86 TSHR (0.67) TSHRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL6441720 0.86 TSHR (0.67) TSHRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL578128 0.85 TSHR (0.77) TSHRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL6441724 0.85 TSHR (0.65) TSHRKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3150175 0.84 ALDH1A1 (0.62) TSHRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL21958104 0.83 TSHR (0.62) TSHRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL1190027 0.83 TSHR (0.49) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7669334 0.82 TSHR (0.71) TSHRKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL7670783 0.82 TSHR (0.71) TSHRKDM4EHSD17B10ALDH1A1CDC25B
SCHEMBL5545585 0.82 TSHR (0.61) TSHRKDM4EHSD17B10ALDH1A1SMN1; SMN2

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-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 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 (1 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-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 TSHR 2866/4885KDM4E 1811/4885HSD17B10 1172/4885

“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.