SCHEMBL6744454

SCHEMBL6744454

CN(C)c1ccc2c(c1)C(=O)OC2(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
HPGD P15428 3/20 0.65
CYP3A4 P08684 2/20 0.65
HSD17B10 Q99714 2/20 0.65
HIF1A Q16665 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
APP P05067 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PDK2 Q15119 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
PTK2B Q14289 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL29381342 0.83 ALDH1A1 (0.79) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL10933724 0.83 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL311267 0.83 ALDH1A1 (0.79) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL9506749 0.81 ALDH1A1 (0.63) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL18143522 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL27188 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL25865319 0.77 PPARG (0.47) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL9617636 0.76 ALDH1A1 (0.61) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL6834819 0.75 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4HSD17B10HIF1A
SCHEMBL2905368 0.75 ALDH1A1 (0.68) ALDH1A1HPGDCYP3A4HSD17B10HIF1A

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
US-6689808-B2 TREATING OR PREVENTING EPILEPSY OR NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2004-02-10 US claimed
US-20030220393-A1 Substituted phthalides, a process for their preparations and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-11-27 US claimed
EP-1320528-A2 SUBSTITUTED PHTHALIDES AS ANTI-CONVULSIVE DRUGS THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2003-06-25 EP claimed
WO-2002000638-A2 SUBSTITUTED PHTHALIDES AS ANTI-CONVULSIVE DRUGS INSTITUTE OF MATERIA MEDICA (CN) 2002-01-03 WO claimed
US-6689808-B2 TREATING OR PREVENTING EPILEPSY OR NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2004-02-10 US disclosed
US-20030220393-A1 Substituted phthalides, a process for their preparations and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-11-27 US disclosed
EP-1320528-A2 SUBSTITUTED PHTHALIDES AS ANTI-CONVULSIVE DRUGS THE INSTITUTE OF MATERIA MEDICA OF CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2003-06-25 EP disclosed
WO-2002000638-A2 SUBSTITUTED PHTHALIDES AS ANTI-CONVULSIVE DRUGS INSTITUTE OF MATERIA MEDICA (CN) 2002-01-03 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-20030220393-A1 Substituted phthalides, a process for their preparations and pharmaceutical compositions containing them NR5A2, NR2E3, NR4A1 ALDH1A1 1151/4885HPGD 1998/4885CYP3A4 190/4885

“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.