SCHEMBL6606932

SCHEMBL6606932

Cc1cc(CC(=O)OC(C)C)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.39
DAO P14920 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
APAF1 O14727 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.34
P2RX7 Q99572 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
SCHEMBL6604745 0.82 TSHR (0.41) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2824324 0.81 KDM4E (0.48) ALDH1A1FFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL2827976 0.76 LMNA (0.46) TSHRALDH1A1L3MBTL1FFAR1DAO
SCHEMBL20353295 0.76 SMN1; SMN2 (0.43) TSHRALDH1A1L3MBTL1FFAR1DAO
SCHEMBL4085587 0.75 HTT (0.47) TSHRALDH1A1L3MBTL1FFAR1DAO
SCHEMBL12492462 0.75 SMN1; SMN2 (0.42) TSHRALDH1A1L3MBTL1FFAR1DAO
SCHEMBL24589257 0.72 SMN1; SMN2 (0.51) TSHRALDH1A1FFAR1DAOMEN1
SCHEMBL2827324 0.71 KDM4E (0.51) ALDH1A1L3MBTL1FFAR1DAOMEN1
SCHEMBL21576140 0.70 P2RX7 (0.48) TSHRALDH1A1L3MBTL1FFAR1DAO
SCHEMBL2828555 0.70 SMN1; SMN2 (0.38) TSHRALDH1A1L3MBTL1FFAR1DAO

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 1972/4885ALDH1A1 330/4885L3MBTL1 235/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 TSHR 1212/4885ALDH1A1 239/4885L3MBTL1 289/4885

“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.