SCHEMBL21614546

SCHEMBL21614546

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28543298 1.00 HRH3 (0.37) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL21611842 1.00 HRH3 (0.37) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL22931327 0.84 HRH3 (0.45) HRH3MEN1ALDH1A1TSHRKMT2A
SCHEMBL24183711 0.81 APOBEC3A (0.39) APOBEC3AAPOBEC3GKDM4EHTTSMN1; SMN2
SCHEMBL12988069 0.80
SCHEMBL21614535 0.79 APOBEC3A (0.33) APOBEC3AAPOBEC3GKDM4EHTTSMN1; SMN2
SCHEMBL29721906 0.79 APOBEC3A (0.33) APOBEC3AAPOBEC3GKDM4EHTTSMN1; SMN2
SCHEMBL21614534 0.79 APOBEC3A (0.33) APOBEC3AAPOBEC3GKDM4EHTTSMN1; SMN2
SCHEMBL21611826 0.77 PLG (0.38) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL6935422 0.77 HPGD (0.47) KDM4ESMN1; 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 6 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
CN-112424170-A Novel compounds for controlling arthropods 拜耳动物保健有限责任公司 2021-02-26 CN 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 HRH3 1166/4885MEN1 2078/4885ALDH1A1 2935/4885
US-11357755-B2 Compounds for controlling arthropods DDT, AAAS, AGO2 HRH3 1230/4885MEN1 1454/4885ALDH1A1 2527/4885

“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.