SCHEMBL17202063

SCHEMBL17202063

CCCCCCCCCCCCCCCCCCCCCCCCCC(N)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.62
CYP2D6 P10635 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58
GMNN O75496 1/20 0.58
POLB P06746 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
BLM P54132 1/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CETP P11597 1/20 0.58
HTT P42858 1/20 0.58
UBE2N P61088 1/20 0.58
OPRM1 P35372 1/20 0.55
LAP3 P28838 2/20 0.52
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 1/20 0.50

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
SCHEMBL23140 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL8016796 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL17202178 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL1850024 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL1482869 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL9801707 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL9801585 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL1072718 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL9801241 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN
SCHEMBL1682913 1.00 SPHK1 (0.62) SPHK1CYP2D6LMNATP53GMNN

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-3134481-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM Entropy Solutions, Inc. (US) 2017-03-01 EP claimed
US-20170044414-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC 2017-02-16 US claimed
WO-2015164654-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS INC. (US) 2015-10-29 WO claimed
EP-3134481-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM Entropy Solutions, Inc. (US) 2017-03-01 EP disclosed
US-20170044414-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC 2017-02-16 US disclosed
WO-2015164654-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS INC. (US) 2015-10-29 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-20170044414-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM PFAS, ALKBH2, ALKBH5 SPHK1 1199/4885CYP2D6 3672/4885LMNA 211/4885

“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.