SCHEMBL5044889

SCHEMBL5044889

CCOCCOCCOc1ccc2nc(-c3ccc(C=C(C(=O)O)C(=O)OC(C)CC)cc3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.43
TLR9 Q9NR96 6/20 0.39
F2RL3 Q96RI0 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
APP P05067 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
TP53 P04637 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL5042047 0.86 TLR7 (0.37) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL5044883 0.85 TLR7 (0.48) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL5050052 0.84 TLR7 (0.37) TLR7TLR9F2RL3MAPTPOLB
SCHEMBL5045844 0.84 ESR1 (0.48) MAPTSMN1; SMN2APPGPR119HDAC6
SCHEMBL5041479 0.83 MAPT (0.38) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL5049478 0.82 MAPT (0.37) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL5045097 0.81 KDM4E (0.47) MAPTPOLBSMN1; SMN2TP53
SCHEMBL14135761 0.77 TLR7 (0.44) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL11330329 0.72 KDM4E (0.43) TP53
SCHEMBL5042502 0.72 TLR7 (0.39) TLR7TLR9F2RL3MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515694-A1 BENZOXAZOLE AND BENZODIAZOLE UV-A SUNSCREENS DSM IP Assets B.V. (NL) 2005-03-23 EP claimed
WO-2004000256-A1 BENZOXAZOLE AND BENZODIAZOLE UV-A SUNSCREENS DSM IP ASSETS B.V. (NL) 2003-12-31 WO claimed
US-7414138-B2 Benzoxazole and benzodiazole UV-A sunscreens DSM IP ASSETS B.V. (NL) 2008-08-19 US disclosed
US-20050260144-A1 Benzoxazole and benzodiazole uv-a sunscreens DSM IP ASSETS B.V. (NL) 2005-11-24 US disclosed
EP-1515694-A1 BENZOXAZOLE AND BENZODIAZOLE UV-A SUNSCREENS DSM IP Assets B.V. (NL) 2005-03-23 EP disclosed
WO-2004000256-A1 BENZOXAZOLE AND BENZODIAZOLE UV-A SUNSCREENS DSM IP ASSETS B.V. (NL) 2003-12-31 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-20050260144-A1 Benzoxazole and benzodiazole uv-a sunscreens SUN2, CYP27B1, ERCC4 TLR7 2407/4885TLR9 3618/4885F2RL3 3928/4885

“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.