SCHEMBL29948545

SCHEMBL29948545

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Cl)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MT-CO2 P00403 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.34
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL18146100 0.82 MT-CO2 (0.35) NPC1RAB9AMT-CO2KDM4EAAK1
SCHEMBL29995099 0.79 HDAC1 (0.37) MT-CO2ALDH1A1CA12CA1CA2
SCHEMBL18147346 0.79 HDAC1 (0.37) MT-CO2ALDH1A1CA12CA1CA2
SCHEMBL7637435 0.79 AAK1 (0.37) NPC1RAB9AMT-CO2KDM4EMEN1
SCHEMBL29948478 0.77 VCAM1 (0.47) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL6914487 0.77 CYP3A4 (0.39) NPC1RAB9AMT-CO2KDM4EALDH1A1
SCHEMBL12627979 0.76 NR1H2 (0.37) MT-CO2ALDH1A1CA12CA1CA2
SCHEMBL29535234 0.76 NR1H2 (0.37) MT-CO2ALDH1A1CA12CA1CA2
SCHEMBL24168678 0.75 PGR (0.44)
SCHEMBL5673919 0.75 MT-CO2 (0.38) MT-CO2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2024-10-17 US disclosed
EP-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 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 (1 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-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD NPC1 3436/4885RAB9A 518/4885MT-CO2 21/4885

“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.