SCHEMBL6741584

SCHEMBL6741584

CCC1(CC)OC(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PGR P06401 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP3 P42574 2/20 0.41
CAPN9 O14815 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL31448378 0.81 ALDH1A1 (0.53) ALDH1A1PGRTDP1CYP3A4PTPRC
SCHEMBL21962048 0.81 ALDH1A1 (0.53) ALDH1A1PGRTDP1CYP3A4PTPRC
SCHEMBL4845321 0.74 PGR (0.57) ALDH1A1PGRTDP1CYP3A4MEN1
SCHEMBL4849481 0.72 PGR (0.65) ALDH1A1PGRCASP3CYP1A2CASP1
SCHEMBL26624028 0.72 ALDH1A1 (0.53) ALDH1A1PGRTDP1CYP3A4PTPRC
SCHEMBL11010153 0.71 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4PTPRCS100A4
SCHEMBL31217559 0.71 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4PTPRCS100A4
SCHEMBL727919 0.71 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4PTPRCS100A4
SCHEMBL3400352 0.70 TDP1 (0.71) ALDH1A1TDP1CYP3A4PTPRCS100A4
SCHEMBL8072999 0.70 AKR1B1 (0.44) ALDH1A1TDP1CYP3A4PTPRCS100A4

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 1151/4885PGR 201/4885TDP1 4822/4885

“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.