SCHEMBL7355293

SCHEMBL7355293

CCOC(=O)C(CC)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CAD P27708 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.39
SOAT1 P35610 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
AURKA O14965 1/20 0.37
NTRK1 P04629 1/20 0.37
MMP8 P22894 1/20 0.36
TRPA1 O75762 1/20 0.36
RECQL P46063 1/20 0.36

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
Hydrochloric Acid SCHEMBL6605617 0.98 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10CAD
SCHEMBL230068 0.85 ALDH1A1 (0.50) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL25678395 0.84 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10CAD
SCHEMBL28054134 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL26658212 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL28077349 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10GAA
Ammonia Solution, Strong SCHEMBL27830684 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL27522636 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10GAA
SCHEMBL9269283 0.82 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10CAD
SCHEMBL2334594 0.81 SMN1; SMN2 (0.42) ALOX15CADGAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056817-B2 Arylated β-dicarbonyl compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-16 US disclosed
US-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-14 US disclosed
EP-1023291-A1 DIPYRIDOIMIDAZOLDERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-02 EP disclosed
WO-1999018105-A1 DIPYRIDOIMIDAZOLDERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-15 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-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF CYP51A1, DDT, CYP3A4 ALOX15 3477/4885ALDH1A1 123/4885LMNA 2589/4885

“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.