SCHEMBL4071508

SCHEMBL4071508

C=C(C)C(=O)OCCOCCOCCOCCOC(=O)c1ccc(N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2B P18089 1/20 0.37
OPRD1 P41143 1/20 0.37
SCN5A Q14524 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ESR1 P03372 3/20 0.35
TSHR P16473 2/20 0.35
CHRM1 P11229 1/20 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
SCHEMBL12394954 1.00 THRB (0.43) THRBTDP1POLBAPEX1HTT
SCHEMBL12394953 1.00 THRB (0.43) THRBTDP1POLBAPEX1HTT
SCHEMBL838092 0.96 TDP1 (0.45) THRBTDP1POLBAPEX1HTT
SCHEMBL12394967 0.81 ALDH1A1 (0.49) THRBTDP1ABCB11CYP3A4ADRA2B
SCHEMBL12394958 0.81 ALDH1A1 (0.49) THRBTDP1ABCB11CYP3A4ADRA2B
SCHEMBL12394957 0.81 ALDH1A1 (0.49) THRBTDP1ABCB11CYP3A4ADRA2B
SCHEMBL1696749 0.81 TDP1 (0.54) THRBTDP1POLBAPEX1HTT
SCHEMBL44949 0.80 ALDH1A1 (0.52) THRBTDP1POLBAPEX1HTT
SCHEMBL17034393 0.80 ESR1 (0.57) THRBTDP1POLBAPEX1HTT
SCHEMBL11977028 0.79 NPC1 (0.39) TDP1HPGDALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140224140-A1 PRINTING METHOD USING LITHOGRAPHIC PRINTING PLATE PRECURSOR OF ON-PRESS DEVELOPMENT TYPE FUJIFILM COPORATION (JP) 2014-08-14 US disclosed
US-20120227605-A1 ALUMINUM ALLOY PLATE FOR LITHOGRAPHIC PRINTING PLATE, LITHOGRAPHIC PRINTING PLATE SUPPORT, PRESENSITIZED PLATE, METHOD OF MANUFACTURING ALUMINUM ALLOY PLATE FOR LITHOGRAPHIC PRINTING PLATE AND METHOD OF MANUFACTURING LITHOGRAPHIC PRINTING PLATE SUPPORT FUJIFILM CORPORATION (JP) 2012-09-13 US disclosed
US-20120103220-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR SONOKAWA KOJI (JP) 2012-05-03 US disclosed
US-20110168044-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
US-20110159437-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-06-30 US disclosed
US-20110134411-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, LITHOGRAPHIC PRINTING METHOD AND PACKAGED BODY OF LITHOGRAPHIC PRINTING PLATE PRECURSORS MITSUMOTO TOMOYOSHI 2011-06-09 US disclosed
US-7939240-B2 Lithographic printing plate precursor and method of producing printing plate FUJIFILM CORPORATION (JP) 2011-05-10 US disclosed
US-20110091814-A1 PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-04-21 US disclosed
US-20110054212-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING PROCESS OOHASHI HIDEKAZU 2011-03-03 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-20110054212-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING PROCESS FLNA, PFN1, FLNB THRB 3699/4885TDP1 1843/4885POLB 1208/4885

“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.