SCHEMBL3100433

SCHEMBL3100433

CCCN(CCC)C(C)CCO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
TSHR P16473 1/20 0.35
KCNA5 P22460 2/20 0.31
KCNH2 Q12809 1/20 0.31
BCHE P06276 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
SCHEMBL3106023 0.86 ALDH1A1 (0.38) FDPSTSHR
SCHEMBL3104058 0.86 ALDH1A1 (0.38) TSHR
SCHEMBL20344865 0.81 FDPS (0.37) FDPSTSHRBCHE
SCHEMBL7961589 0.80 FDPS (0.38) FDPSTSHR
SCHEMBL26088938 0.80 TSHR (0.40) TSHR
SCHEMBL8607 0.79 FDPS (0.33) FDPSTSHR
SCHEMBL7770585 0.79 FDPS (0.41) FDPSTSHRKCNA5
SCHEMBL27861089 0.78 MAPT (0.32) FDPS
SCHEMBL27546688 0.77 DNM1 (0.36) FDPSTSHRBCHE
Bromide SCHEMBL14778203 0.77 FDPS (0.32) FDPSTSHR

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 6 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
CN-101835820-B Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2012-11-21 CN 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
CN-101835820-A Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2010-09-15 CN 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

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 FDPS 1011/4885TSHR 3067/4885KCNA5 1201/4885

“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.