SCHEMBL2632219

SCHEMBL2632219

CCCCCCCCCCCOc1ccc(CC(=O)OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
PDE4A P27815 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HIF1A Q16665 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
NR5A1 Q13285 1/20 0.56
RARB P10826 3/20 0.54

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
SCHEMBL14125946 1.00 PLA2G4B (0.63) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL31473503 1.00 PLA2G4B (0.63) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL10757136 1.00 PLA2G4B (0.63) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9160866 1.00 PLA2G4B (0.63) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7280156 1.00 PLA2G4B (0.63) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL3333378 0.95 KDM4E (0.69) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL2628190 0.89 SMN1; SMN2 (0.59) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4275916 0.88 LTA4H (0.52) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9140317 0.86 PLA2G4B (0.62) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9476115 0.86 PLA2G4B (0.62) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A

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-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 PLA2G4B 3710/4885KDM4E 2299/4885CYP1A2 559/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 PLA2G4B 3710/4885KDM4E 2299/4885CYP1A2 559/4885

“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.