SCHEMBL12648743

SCHEMBL12648743

CCCCc1ccc(C(=O)I)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.65
▸ PLK1 P53350 1/20 0.65
▸ THRA P10827 7/20 0.62
▸ THRB P10828 7/20 0.62
▸ ALDH1A1 P00352 3/20 0.60
▸ HPGD P15428 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ RARA P10276 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MTOR P42345 1/20 0.56
▸ TRPV1 Q8NER1 1/20 0.56
▸ PLA2G1B P04054 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53

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
SCHEMBL12648633 0.92 THRA (0.67) RARBTHRATHRBALDH1A1MEN1
SCHEMBL15100965 0.87 PLK1 (0.62) RARBPLK1THRATHRBALDH1A1
SCHEMBL13950912 0.85 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL1404028 0.85 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL2564366 0.85 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL181230 0.83 RARB (0.89) RARBPLK1THRATHRBALDH1A1
SCHEMBL967078 0.83 HSD17B10 (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL9693784 0.83 RARB (0.65) RARBPLK1THRATHRBALDH1A1
SCHEMBL14679132 0.82 THRA (0.60) RARBPLK1THRATHRBALDH1A1
SCHEMBL23417713 0.82 RARB (0.62) RARBPLK1THRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 — — 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-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 RARB 2720/4885PLK1 1423/4885THRA 3472/4885

“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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