SCHEMBL13527231

SCHEMBL13527231

C#COC(=O)OC1=C(c2c(C)cc(I)cc2C)C(=O)N2CCCCC12

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.30
▸ GABRG2 P18507 2/20 0.30
▸ GABRB3 P28472 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRA3 P34903 2/20 0.30
▸ GABRA2 P47869 2/20 0.30
▸ GABRA6 Q16445 2/20 0.30
▸ CDK5 Q00535 4/20 0.30
▸ CDK5R1 Q15078 4/20 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
SCHEMBL10309299 0.90 — —
SCHEMBL13002769 0.84 GABRG2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13527448 0.80 CDK5 (0.32) CDK5CDK5R1
SCHEMBL10212001 0.77 FFAR4 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13357367 0.76 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13527244 0.75 CDK5 (0.33) CDK5CDK5R1
SCHEMBL8312583 0.74 KMT2A (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13168023 0.73 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16153988 0.72 NR1H2 (0.36) CDK5CDK5R1
SCHEMBL13059536 0.71 HTR2A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3

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-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 — — US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 — — 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-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols KCNE1, KCNH3, KCNH2 GABRA1 4511/4885GABRG2 4345/4885GABRB3 4395/4885

“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.

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