SCHEMBL4802829

SCHEMBL4802829

CN1c2ccccc2C(C(=O)Oc2ccc(P(=O)(O)O)cc2)c2c(OS(=O)(=O)C(F)(F)F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.35
DRD4 P21917 5/20 0.35
DRD3 P35462 5/20 0.35
DRD1 P21728 3/20 0.35
DRD5 P21918 3/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HTR5A P47898 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B1 P14061 1/20 0.30

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
SCHEMBL5705543 0.91 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7787043 0.90 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7024588 0.84 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2985465 0.84 DRD2 (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2996951 0.83 HDAC4 (0.44) DRD2DRD4DRD3DRD1DRD5
SCHEMBL4798227 0.82 HDAC4 (0.44) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7796579 0.82 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6256438 0.82 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6255238 0.80 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1420826 0.80 HDAC4 (0.40) HDAC4HDAC7HDAC5CYP1A2CYP2C9

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-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
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
EP-1203091-A1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES Bayer Corporation (US) 2002-05-08 EP disclosed
WO-2001009372-A1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES BAYER CORPORATION (US) 2001-02-08 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-20050032147-A1 Chemiluminescent acridinum compounds and analogues thereof as substrates of hydrolytic enzymes MPO, LPO, PGLS DRD2 3217/4885DRD4 3047/4885DRD3 3264/4885

“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.