SCHEMBL13250071

SCHEMBL13250071

C=C(C)C(=O)CCCOC(=O)C(=C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
THRB P10828 1/20 0.52
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.40
CES1 P23141 3/20 0.32
HPGD P15428 1/20 0.31
CES2 O00748 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 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
SCHEMBL21760324 0.94 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL26800728 0.92 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14472240 0.89 THRB (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6695792 0.87 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12938689 0.87 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7919723 0.85 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22440439 0.85 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL255879 0.85 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL25426 0.84 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.84 TSHR (0.79) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9660375-B2 Anti-corrosive material, wire with terminal, and wire harness YAZAKI CORPORATION (JP) 2017-05-23 US disclosed
US-20160308301-A1 ANTI-CORROSIVE MATERIAL, WIRE WITH TERMINAL, AND WIRE HARNESS YAZAKI CORPORATION (JP) 2016-10-20 US disclosed
US-8992668-B2 Gas separation membrane and method for producing the same, and method for separating gas mixture, gas separation membrane module and gas separation apparatus using the same FUJIFILM CORPORATION (JP) 2015-03-31 US disclosed
US-8747521-B2 Gas separation membrane and method for producing the same, and gas separating method, module and separation apparatus using the same FUJIFILM CORPORATION (JP) 2014-06-10 US disclosed
US-20130014642-A1 GAS SEPARATION MEMBRANE AND METHOD FOR PRODUCING THE SAME, AND METHOD FOR SEPARATING GAS MIXTURE, GAS SEPARATION MEMBRANE MODULE AND GAS SEPARATION APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2013-01-17 US disclosed
US-20120297976-A1 GAS SEPARATION MEMBRANE AND METHOD FOR PRODUCING THE SAME, AND GAS SEPARATING METHOD, MODULE AND SEPARATION APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2012-11-29 US disclosed
EP-2518494-A2 Sugar chain- capturing substance and use thereof Sumitomo Bakelite Company, Ltd. (JP) 2012-10-31 EP disclosed
EP-2518495-A2 Sugar chain-capturing substance and use thereof Sumitomo Bakelite Company, Ltd. (JP) 2012-10-31 EP disclosed
US-20100172990-A1 BIOCOMPATIBLE MICROGELS AND APPLICATIONS THEREOF UNIVERSIDAD DEL PAIS VASCO (ES) 2010-07-08 US disclosed
US-20090191373-A1 Single Layer Film and Hydrophilic Material Comprising the Same MITSUI CHEMICALS ,INC. 2009-07-30 US disclosed
EP-2056106-A1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF Sumitomo Bakelite Company, Ltd. (JP) 2009-05-06 EP 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-20100172990-A1 BIOCOMPATIBLE MICROGELS AND APPLICATIONS THEREOF FN1, CD68, MSN TSHR 4625/4885THRB 4615/4885POLB 4318/4885

“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.