SCHEMBL26367185

SCHEMBL26367185

COC(=O)c1cc(C2CC2)ccc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
CCR5 P51681 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 1/20 0.35
QDPR P09417 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK4 Q16654 2/20 0.35

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
SCHEMBL30579911 1.00 ACMSD (0.38) ACMSDALDH1A1LMNACCR5KDM4E
SCHEMBL3828063 0.80 ACMSD (0.41) ACMSDALDH1A1LMNAKDM4EPOLB
SCHEMBL12488979 0.79 ALDH1A1 (0.41) ACMSDALDH1A1LMNAKDM4EPOLB
SCHEMBL17067761 0.78 SLC6A3 (0.45) ACMSDALDH1A1LMNAKDM4EPOLB
SCHEMBL16055426 0.78 CA12 (0.59) ACMSDALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL27881584 0.78 CA12 (0.59) ACMSDLMNAQDPRPDK2PDK4
SCHEMBL23635957 0.77 PDE4B (0.49) LMNAKDM4EPOLBDHODHQDPR
SCHEMBL31414507 0.77 KDM4E (0.41) ACMSDALDH1A1LMNAKDM4EPOLB
SCHEMBL30842192 0.77 PDE4B (0.49) LMNAKDM4EPOLBDHODHQDPR
SCHEMBL2403289 0.77 KDM4E (0.55) ACMSDALDH1A1LMNAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 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 (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-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, QSOX1, ACAA2 ACMSD 201/4885ALDH1A1 218/4885LMNA 3850/4885

“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.