SCHEMBL13302136

SCHEMBL13302136

CCOC(=O)C=Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP4Z1 Q86W10 2/20 0.44
TSHR P16473 2/20 0.44
PIN1 Q13526 1/20 0.44
LMNA P02545 3/20 0.42
MDM2 Q00987 2/20 0.42
MDM4 O15151 1/20 0.42
CES2 O00748 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14040320 1.00 MAPT (0.48) MAPTALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL11809295 0.98 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL28242676 0.86 CYP4Z1 (0.48) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13282569 0.84 CA1 (0.54) MAPTALDH1A1MEN1KMT2ANPC1
Ethyl Acetate SCHEMBL28243543 0.84 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL28242757 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL28242729 0.83 NPC1 (0.58) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL28243545 0.83 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL654318 0.83 LMNA (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL654319 0.83 LMNA (0.50) MAPTALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586404-A A kind of synthetic method of N- aryl naphtho- furanone imine compound 湖南大学 2018-09-28 CN claimed
CN-108586404-A A kind of synthetic method of N- aryl naphtho- furanone imine compound 湖南大学 2018-09-28 CN disclosed
US-20100152446-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-7652012-B2 Orvepitant maleate; potent and specific antagonists of tachykinins, including substance P and other neurokinins; anxioltic and antidepressant GLAXO GROUP LIMITED (GB) 2010-01-26 US disclosed
US-7482365-B2 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor GLAXO GROUP LIMITED (GB) 2009-01-27 US disclosed
US-20070099914-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2007-05-03 US disclosed
US-7189713-B2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 2007-03-13 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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 (2 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-20070099914-A1 Piperidine Derivatives PTGES2, NFKBIA, PTGS2 MAPT 2632/4885ALDH1A1 332/4885MEN1 4813/4885
US-20100152446-A1 Piperidine Derivatives NPSR1, NPY5R, NPY4R MAPT 4616/4885ALDH1A1 3922/4885MEN1 2135/4885

“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.