SCHEMBL8887489

SCHEMBL8887489

O=C1NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
LMNA P02545 2/20 0.45
TNKS2 Q9H2K2 1/20 0.45
GSTP1 P09211 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAOB P27338 2/20 0.44
BCHE P06276 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NR4A1 P22736 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
SCHEMBL12449152 1.00 MEN1 (0.52) MEN1KMT2AKDM4CLMNATNKS2
SCHEMBL8889749 0.87 FFAR1 (0.48) MEN1KMT2AKDM4CTNKS2GSTP1
SCHEMBL6471382 0.85 GAA (0.44) MAOBCYP1A2CYP2C19GAAMAPT
SCHEMBL1221080 0.85 GAA (0.44) MAOBCYP1A2CYP2C19GAAMAPT
SCHEMBL7312317 0.85 GAA (0.44) MAOBCYP1A2CYP2C19GAAMAPT
SCHEMBL27353845 0.84 GAA (0.43) MAOBCYP1A2CYP2C19GAAMAPT
SCHEMBL8888020 0.84 LTA4H (0.49) MEN1KMT2AKDM4CTNKS2BCHE
SCHEMBL8888862 0.83 MGLL (0.50) MEN1KMT2AKDM4CTNKS2BCHE
SCHEMBL8888610 0.83 MGLL (0.50) MEN1KMT2AKDM4CTNKS2BCHE
SCHEMBL8888514 0.83 MGLL (0.50) MEN1KMT2AKDM4CTNKS2BCHE

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-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-11-21 US disclosed
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-11-21 US disclosed
EP-2359862-A1 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents Intezyne Technologies Inc. (US) 2011-08-24 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 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-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER TOP2B, TOP2A, ABCB4 MEN1 241/4885KMT2A 2049/4885KDM4C 1680/4885

“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.