SCHEMBL21614535

SCHEMBL21614535

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC6A2 P23975 1/20 0.31
TBXAS1 P24557 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31
KCNH2 Q12809 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
SCHEMBL29721906 1.00 APOBEC3A (0.33) APOBEC3AAPOBEC3GHTTKDM4ESMN1; SMN2
SCHEMBL21614534 1.00 APOBEC3A (0.33) APOBEC3AAPOBEC3GHTTKDM4ESMN1; SMN2
SCHEMBL21614505 0.83 CHRM2 (0.34)
SCHEMBL21614531 0.83 CHRM2 (0.34)
SCHEMBL28543298 0.79 HRH3 (0.37) APOBEC3AAPOBEC3GHTTKDM4ESMN1; SMN2
SCHEMBL21614546 0.79 HRH3 (0.37) APOBEC3AAPOBEC3GHTTKDM4ESMN1; SMN2
SCHEMBL21611842 0.79 HRH3 (0.37) APOBEC3AAPOBEC3GHTTKDM4ESMN1; SMN2
SCHEMBL24183731 0.79 CHRM2 (0.37)
SCHEMBL21614537 0.79 CHRM2 (0.37)
SCHEMBL21614517 0.79 CHRM2 (0.37)

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 APOBEC3A 1587/4885APOBEC3G 1626/4885HTT 1659/4885
US-11357755-B2 Compounds for controlling arthropods DDT, AAAS, AGO2 APOBEC3A 632/4885APOBEC3G 641/4885HTT 1208/4885

“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.