SCHEMBL21614552

SCHEMBL21614552

CC(C)(C)OC(=O)CCC(=O)O[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NAAA Q02083 2/20 0.40
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 2/20 0.35
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CACNA1B Q00975 2/20 0.32
STING1 Q86WV6 1/20 0.31

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
SCHEMBL21614518 0.86 NAAA (0.54) GAAMAPTNAAAAPOBEC3AAPOBEC3G
SCHEMBL14422670 0.82 NAAA (0.46) GAAMAPTNAAAAPOBEC3AAPOBEC3G
SCHEMBL31034456 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM3EPHX2
SCHEMBL24183711 0.80 APOBEC3A (0.39) GAAMAPTNAAAAPOBEC3AAPOBEC3G
SCHEMBL6007931 0.79 KMT2A (0.45) GAAAPOBEC3AAPOBEC3GEPHX2ALDH1A1
SCHEMBL22526013 0.79 CHRM2 (0.39) MAPTCHRM2CHRM1CHRM3KDM4E
SCHEMBL2818269 0.78 LMNA (0.42) GAAMAPTNAAASMN1; SMN2ALDH1A1
SCHEMBL28305046 0.78 NAAA (0.53) GAAMAPTNAAAAPOBEC3AAPOBEC3G
SCHEMBL5256423 0.77 CHRM2 (0.38) CHRM2CHRM1CHRM3
SCHEMBL19690548 0.77 NAAA (0.52) GAAMAPTNAAAAPOBEC3AAPOBEC3G

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3818047-B1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2022-07-27 EP disclosed
US-11357755-B2 Compounds for controlling arthropods BAYER ANIMAL HEALTH GMBH (DE) 2022-06-14 US disclosed
US-11357755-B2 Compounds for controlling arthropods BAYER ANIMAL HEALTH GMBH (DE) 2022-06-14 US disclosed
US-20220008391-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2022-01-13 US disclosed
WO-2020007704-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2020-01-09 WO 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-20220008391-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS DDT, AAAS, AGO2 GAA 2362/4885MAPT 4478/4885NAAA 264/4885
US-11357755-B2 Compounds for controlling arthropods DDT, AAAS, AGO2 GAA 2337/4885MAPT 4487/4885NAAA 286/4885

“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.