SCHEMBL29948478

SCHEMBL29948478

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL10385158 0.85 TSHR (0.47) ALDH1A1MAPTHPGDLMNAMAPK1
SCHEMBL18147782 0.84 ALDH1A1 (0.43) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL18146659 0.81 ATM (0.44) ALDH1A1MAPTLMNA
SCHEMBL16943224 0.81 VCAM1 (0.46) VCAM1MAPTHPGDLMNASMN1; SMN2
SCHEMBL3100964 0.80 ALDH1A1 (0.38) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL29948545 0.77 NPC1 (0.40) ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL6916032 0.77 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL1028629 0.76 VCAM1 (0.62) VCAM1ALDH1A1MAPTHPGDLMNA
SCHEMBL16943261 0.76 VCAM1 (0.44) VCAM1MAPTHPGDLMNASMN1; SMN2
SCHEMBL30963113 0.76 KMT2A (0.42) VCAM1ALDH1A1MAPTHPGDLMNA

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 VCAM1 4284/4885ALDH1A1 326/4885MAPT 3692/4885

“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.