SCHEMBL5404802

SCHEMBL5404802

O=C(O)c1c(OCOc2ccc3ccccc3c2C(=O)O)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
CTSD P07339 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
CXCR5 P32302 1/20 0.45
WDR5 P61964 1/20 0.44
NCEH1 Q6PIU2 2/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
LDHA P00338 1/20 0.43

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
SCHEMBL23152216 0.91 CTSD (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL10935027 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL4799007 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL2420501 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL503962 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL30393029 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6562825 0.87 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3629367 0.87 RAB9A (0.48) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL1037379 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10CTSDRAB9A
SCHEMBL4345297 0.85 NPC1 (0.60) ALDH1A1KDM4EHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197654-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF A PRODUCT WHICH ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF PARKINSON'S DISEASE AVENTIS PHARMA S.A. (FR) 2007-08-23 US disclosed
US-7217705-B2 Combination of a CB1 receptor antagonist and of a product which activates dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease AVENTIS PHARMA S.A. (FR) 2007-05-15 US disclosed
US-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease AVENTIS PHARMA S.A. (FR) 2004-10-21 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 (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-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease CNR1, CNR2, GPR18 ALDH1A1 2669/4885KDM4E 2980/4885HPGD 941/4885
US-20070197654-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF A PRODUCT WHICH ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF PARKINSON'S DISEASE CNR1, CNR2, GPR18 ALDH1A1 3094/4885KDM4E 3157/4885HPGD 930/4885

“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.