SCHEMBL12844892

SCHEMBL12844892

CCC(C(=O)CN=O)c1ccc(I)nc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL12844795 0.83 AKR1C3 (0.44) AKR1C3AKR1C2
SCHEMBL12844796 0.71 L3MBTL1 (0.40) GAATHRBP4HTM
SCHEMBL12828898 0.70 LMNA (0.45)
SCHEMBL12844798 0.68
SCHEMBL18884231 0.68 ALDH1A1 (0.39) GAA
SCHEMBL24491000 0.63 UGT2B7 (0.36)
SCHEMBL12979869 0.63 NPC1 (0.38)
SCHEMBL12844729 0.62
SCHEMBL2437157 0.62 ADRA2A (0.39) GAATHRBP4HTM
SCHEMBL12844720 0.62 FFAR2 (0.39) GAA

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-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 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-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE GAA 1267/4885THRB 2415/4885P4HTM 2389/4885

“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.