SCHEMBL30369986

SCHEMBL30369986

Cc1cc(N(C)C(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.42
BRD4 O60885 2/20 0.42
PAX8 Q06710 1/20 0.41
AAK1 Q2M2I8 3/20 0.37
CREBBP Q92793 1/20 0.36
ESR1 P03372 2/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
NOTUM Q6P988 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
MT-CO2 P00403 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL18157854 1.00 S100B (0.42) S100BBRD4PAX8AAK1CREBBP
SCHEMBL15156279 0.88 BRD4 (0.42) BRD4PAX8AAK1CREBBPALDH1A1
SCHEMBL25339722 0.87 BRD4 (0.41) BRD4PAX8AAK1CREBBPTSHR
SCHEMBL21022168 0.86 S100B (0.45) S100BBRD4PAX8AAK1ESR1
SCHEMBL655195 0.84 BRD4 (0.43) BRD4PAX8CREBBPESR1AR
SCHEMBL18157852 0.84 BRD4 (0.41) BRD4PAX8AAK1CREBBPALDH1A1
SCHEMBL27539398 0.82 ALDH1A1 (0.42) BRD4PAX8AAK1CREBBPALDH1A1
SCHEMBL22272756 0.82 BRD4 (0.42) BRD4PAX8AAK1CREBBPTSHR
SCHEMBL30339105 0.81 RXRB (0.42) BRD4PAX8CREBBPTDP1NOTUM
SCHEMBL397497 0.81 BRD4 (0.41) BRD4PAX8AAK1CREBBPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4666856-A2 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2025-12-24 EP disclosed
US-12490741-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2025-12-09 US disclosed
US-20250359552-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-27 US disclosed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP disclosed
US-20250134105-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-01 US disclosed
US-12256738-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2025-03-25 US disclosed
US-20250008960-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-01-09 US disclosed
US-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2023-04-25 US 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 (6 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-11632957-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD S100B 3656/4885BRD4 4710/4885PAX8 3887/4885
US-20250134105-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD S100B 3656/4885BRD4 4710/4885PAX8 3887/4885
US-12256738-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD S100B 3656/4885BRD4 4710/4885PAX8 3887/4885
US-20250008960-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD S100B 3656/4885BRD4 4710/4885PAX8 3887/4885
US-20250359552-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD S100B 3656/4885BRD4 4710/4885PAX8 3887/4885
US-12490741-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD S100B 3656/4885BRD4 4710/4885PAX8 3887/4885

“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.