SCHEMBL17352003

SCHEMBL17352003

O=C1NCCCC1C(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
CCR2 P41597 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 2/20 0.47
KLK5 Q9Y337 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
EPHX1 P07099 4/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL17351999 0.98 L3MBTL1 (0.52) L3MBTL1CCR2HTTALDH1A1POLB
SCHEMBL20520368 0.82 L3MBTL1 (0.42) L3MBTL1CCR2HTTALDH1A1POLB
SCHEMBL23210378 0.77 L3MBTL1 (0.55) L3MBTL1CCR2HTTALDH1A1POLB
SCHEMBL17352007 0.75 L3MBTL1 (0.56) L3MBTL1HTTALDH1A1POLBKLK5
SCHEMBL20292448 0.74 EPHX1 (0.47) ALDH1A1CYP1A2KMT2ASMN1; SMN2KDM4E
SCHEMBL20292466 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2KMT2ASMN1; SMN2KDM4E
SCHEMBL14811830 0.72 L3MBTL1 (0.61) L3MBTL1CCR2HTTALDH1A1POLB
SCHEMBL14812115 0.72 L3MBTL1 (0.61) L3MBTL1CCR2HTTALDH1A1POLB
SCHEMBL55591 0.72 L3MBTL1 (0.61) L3MBTL1CCR2HTTALDH1A1POLB
SCHEMBL2792591 0.71 L3MBTL1 (0.68) L3MBTL1HTTALDH1A1POLBKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015199987-A1 SWEETENER ENHANCERS AND METHODS FOR USING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-12-30 WO disclosed
WO-2015199987-A1 SWEETENER ENHANCERS AND METHODS FOR USING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-12-30 WO disclosed
US-20150366252-A1 SWEETENER ENHANCERS AND METHODS FOR USING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-12-24 US disclosed
US-20150366252-A1 SWEETENER ENHANCERS AND METHODS FOR USING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-12-24 US disclosed
US-20150366252-A1 SWEETENER ENHANCERS AND METHODS FOR USING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-12-24 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-20150366252-A1 SWEETENER ENHANCERS AND METHODS FOR USING THE SAME TAS2R60, TAS1R1, TAS2R1 L3MBTL1 1859/4885CCR2 2021/4885HTT 2858/4885

“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.