SCHEMBL4802002

SCHEMBL4802002

COc1ccc2nc3ccc(OCc4ccccc4)cc3c(C(=O)Oc3c(C)cc(C(=O)OCc4ccccc4)cc3C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.48
DHODH Q02127 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.45
MMP13 P45452 1/20 0.45
NMT1 P30419 4/20 0.44
NMT2 O60551 1/20 0.44
SCD O00767 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL924047 0.96 PLA2G2A (0.51) PLA2G2ADHODHKMT2AL3MBTL1KDM4E
SCHEMBL3034156 0.93 PLA2G2A (0.48) PLA2G2ADHODHKMT2AMMP13L3MBTL1
SCHEMBL7531961 0.93 PLA2G2A (0.48) PLA2G2ADHODHMEN1HSP90AA1KMT2A
SCHEMBL7532967 0.88 TACR3 (0.47) PLA2G2ADHODHMEN1KMT2AMAOB
SCHEMBL13223651 0.87 PLA2G2A (0.45) PLA2G2ADHODHKMT2AL3MBTL1KDM4E
SCHEMBL13223653 0.87 TOP2A (0.49) PLA2G2ADHODHMEN1KMT2AMMP13
SCHEMBL13979983 0.87 L3MBTL1 (0.42) PLA2G2ADHODHKMT2AMAOBMMP13
SCHEMBL923930 0.85 PLA2G2A (0.46) PLA2G2AMEN1HSP90AA1KMT2AMAOB
SCHEMBL13979972 0.84 L3MBTL1 (0.42) PLA2G2ADHODHMEN1HSP90AA1KMT2A
SCHEMBL4480370 0.84 MEN1 (0.42) MEN1HSP90AA1KMT2AMAOBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed
US-20060202179-A1 Chemiluminescent Acridinium Compounds and Analogues thereof as Substrates of Hydrolytic Enzymes BAYER CORPORATION (US) 2006-09-14 US disclosed
US-7097995-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes BAYER CORP. (US) 2006-08-29 US disclosed
EP-1203091-B1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES BAYER AG (US) 2005-03-16 EP disclosed
US-20050032147-A1 Chemiluminescent acridinum compounds and analogues thereof as substrates of hydrolytic enzymes BAYER CORPORATION 2005-02-10 US disclosed
US-6783948-B1 USED IN DIAGNOSTIC IMMUNOASSAYS; HAS DISTINCTLY DIFFERENT LIGHT EMISSION CHARACTERISTICS (EMISSION WAVELENGTH, KINETICS, OR QUANTUM YIELD) BAYER CORPORATION 2004-08-31 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 (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-20050032147-A1 Chemiluminescent acridinum compounds and analogues thereof as substrates of hydrolytic enzymes MPO, LPO, PGLS PLA2G2A 2996/4885DHODH 1324/4885MEN1 2513/4885

“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.