SCHEMBL21614596

SCHEMBL21614596

CC(C)(C)OC(=O)CCC(=O)OCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MGLL Q99685 1/20 0.35
NAAA Q02083 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 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
SCHEMBL24183744 0.88 ADRA2A (0.43) ADRA2AADRA1ATDP1MAPTBLM
SCHEMBL24183750 0.85 MGLL (0.45) ADRA2AADRA1ATDP1MAPTBLM
SCHEMBL1816515 0.83 ADRA2A (0.48) ADRA2AADRA1ATDP1MAPTBLM
SCHEMBL21202243 0.81 HTR2C (0.40) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL30904834 0.81 HTR2C (0.60) HTR2CDGKANAAADNM1
SCHEMBL473225 0.81 TDP1 (0.47) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL21634225 0.81 TDP1 (0.41) TDP1MAPTHDAC3HDAC1HDAC2
SCHEMBL23970511 0.81 TDP1 (0.41) TDP1MAPTDGKAHDAC3HDAC1
SCHEMBL21202241 0.80 HTR2C (0.42) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16281549 0.80 ALDH1A1 (0.39) ADRA2AADRA1AMAPTBLMHTR2C

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 ADRA2A 2364/4885ADRA1A 3103/4885TDP1 4618/4885
US-11357755-B2 Compounds for controlling arthropods DDT, AAAS, AGO2 ADRA2A 2538/4885ADRA1A 3349/4885TDP1 4516/4885

“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.