SCHEMBL6604745

SCHEMBL6604745

CCn1nc(C)cc1CC(=O)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1028298 0.83 MAPT (0.40) LMNAAPAF1POLBMAPTALDH1A1
SCHEMBL6606932 0.82 TSHR (0.42) TSHRLMNAAPAF1POLBMEN1
SCHEMBL12955191 0.76 MAPT (0.42) LMNAAPAF1POLBMAPTALDH1A1
SCHEMBL1030032 0.76 HTT (0.44) LMNAAPAF1POLBMAPTALDH1A1
SCHEMBL12955255 0.76 MAPT (0.40) TSHRLMNAAPAF1POLBMAPT
SCHEMBL27739426 0.71 MAPT (0.40) LMNAAPAF1POLBMAPTALDH1A1
SCHEMBL27110118 0.71 GAA (0.40) TSHRLMNAAPAF1POLBMAPT
SCHEMBL15746137 0.70 GAA (0.42) LMNAAPAF1POLBMAPTALDH1A1
SCHEMBL9608890 0.69 GAA (0.44) LMNAAPAF1POLBMAPTALDH1A1
SCHEMBL25303381 0.69 KDM4E (0.51) LMNAAPAF1POLBMAPTALDH1A1

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
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US disclosed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US disclosed
EP-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 EP 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-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same GSTO1, CBR3, CBR1 TSHR 1972/4885LMNA 2648/4885APAF1 1261/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 TSHR 1212/4885LMNA 2609/4885APAF1 890/4885

“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.