SCHEMBL13258633

SCHEMBL13258633

Nc1ccc2c(c1)C(COC(=O)O)c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL13826222 0.87 KMT2A (0.48) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL44677 0.86 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL29381061 0.86 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL29901230 0.86 FABP5 (0.59) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL27503052 0.81 HTR2A (0.42) FABP5FABP7KMT2ACA1CA2
SCHEMBL30433255 0.80 KMT2A (0.55) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL1250338 0.79 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CA1
Isothiocyanate SCHEMBL30858893 0.78 FABP5 (0.51) FABP5FABP7KMT2AEPHX2CA1
Isothiocyanate SCHEMBL29261606 0.78 FABP5 (0.51) FABP5FABP7KMT2AEPHX2CA1
SCHEMBL1230997 0.77 HTR2A (0.47) FABP5FABP7KMT2ACA1CA2

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
US-20100190151-A1 FLUORESCENTLY LABELED NUCLEOSIDE TRIPHOSPHATES AND ANALOGS THEREOF FOR SEQUENCING NUCLEIC ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-07-29 US disclosed
US-20100190151-A1 FLUORESCENTLY LABELED NUCLEOSIDE TRIPHOSPHATES AND ANALOGS THEREOF FOR SEQUENCING NUCLEIC ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-07-29 US disclosed
US-20070117102-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 US disclosed
US-20070117102-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 US disclosed
US-20070117104-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 US disclosed
US-20070117104-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 US disclosed
US-20070117103-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 US disclosed
US-20070117103-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 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 (3 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-20070117103-A1 Nucleotide analogs NT5C2, NT5C3B, NUDT1 FABP5 2167/4885FABP7 4242/4885KMT2A 2259/4885
US-20070117102-A1 Nucleotide analogs NT5C2, NT5C3B, NUDT1 FABP5 2167/4885FABP7 4242/4885KMT2A 2259/4885
US-20070117104-A1 Nucleotide analogs NT5C2, NT5C3B, NUDT1 FABP5 2167/4885FABP7 4242/4885KMT2A 2259/4885

“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.