SCHEMBL4883541

SCHEMBL4883541

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc(C(O)Cc3ccc(OCc4ccccc4)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
LAP3 P28838 1/20 0.39
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
EDNRA P25101 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PPARG P37231 4/20 0.36
DHODH Q02127 1/20 0.36
ALOX5 P09917 1/20 0.36
HDAC3 O15379 1/20 0.35
APP P05067 1/20 0.35
ACHE P22303 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL4194817 0.87 MEN1 (0.41) TOP2ATOP2BMEN1HSP90AA1KMT2A
SCHEMBL4806500 0.85 MEN1 (0.39) TOP2ATOP2BMEN1HSP90AA1KMT2A
SCHEMBL4190377 0.84 MEN1 (0.42) TOP2ATOP2BMEN1HSP90AA1KMT2A
SCHEMBL9631380 0.83 TDP1 (0.47) TOP2ATOP2BKMT2ADHODH
SCHEMBL7532967 0.83 TACR3 (0.47) TOP2ATOP2BMEN1KMT2AEDNRA
SCHEMBL7533840 0.82 TDP1 (0.42) TOP2ATOP2BMEN1HSP90AA1KMT2A
SCHEMBL7099359 0.82 MEN1 (0.41) TOP2ATOP2BMEN1HSP90AA1KMT2A
SCHEMBL4480370 0.81 MEN1 (0.42) MEN1HSP90AA1KMT2APPARGHDAC3
SCHEMBL7106167 0.80 KMT2A (0.38) TOP2ATOP2BMEN1HSP90AA1KMT2A
SCHEMBL7105847 0.79 MAPT (0.47) MEN1KMT2AMAOB

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 LTA4H 98/4885LAP3 11/4885TOP2A 2144/4885

“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.