SCHEMBL3106003

SCHEMBL3106003

CCN(CC)CC(C)CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 1/20 0.33
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL6436543 0.94 TSHR (0.43) TSHRTDP1
SCHEMBL1598784 0.85 TSHR (0.43) TSHRTDP1
SCHEMBL9407523 0.82 PLA2G1B (0.37) PLA2G1BPLA2G2A
SCHEMBL2058607 0.80 TSHR (0.39) TSHRTDP1
SCHEMBL28257124 0.80 TSHR (0.39) TSHRTDP1
SCHEMBL3106022 0.79 TSHR (0.46) TSHRTDP1
SCHEMBL3100868 0.79 ALDH1A1 (0.37) TSHRPLA2G1BPLA2G2A
SCHEMBL5948506 0.77 PLA2G1B (0.34) TSHRPLA2G1BPLA2G2A
SCHEMBL18156642 0.76
SCHEMBL17055340 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
EP-2729543-A2 WATERBORNE POLYURETHANE COATING COMPOSITIONS Bayer MaterialScience LLC (US) 2014-05-14 EP disclosed
WO-2013006605-A2 WATERBORNE POLYURETHANE COATING COMPOSITIONS BAYER MATERIALSCIENCE LLC (US) 2013-01-10 WO disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP disclosed
WO-2009112329-A1 POST-CROSSLINKING WAX AND METHOD FOR PRODUCING THE SAME EVONIK DEGUSSA GMBH (DE) 2009-09-17 WO 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-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 TSHR 3067/4885TDP1 3131/4885NPY1R 1373/4885

“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.