SCHEMBL5044883

SCHEMBL5044883

CCOCCOCCOc1ccc2nc(-c3ccc(C=C(C(=O)OCC)C(=O)OCC)cc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.48
TLR9 Q9NR96 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
APP P05067 2/20 0.40

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
SCHEMBL14135761 0.88 TLR7 (0.44) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL5044889 0.85 TLR7 (0.43) TLR7TLR9MAPTPOLBSMN1; SMN2
SCHEMBL5045843 0.82 ESR1 (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5041476 0.81 MAPT (0.43) TLR7TLR9MAPTMEN1KMT2A
SCHEMBL5042502 0.81 TLR7 (0.39) TLR7TLR9MAPTMEN1KMT2A
SCHEMBL5049477 0.80 MAPT (0.42) TLR7MAPTMEN1KMT2ALMNA
SCHEMBL14095569 0.79 MAPT (0.41) TLR7TLR9MAPTMEN1KMT2A
SCHEMBL5045089 0.79 MEN1 (0.57) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5042031 0.73 MAPT (0.51) TLR9MAPTMEN1KMT2ALMNA
SCHEMBL14095576 0.73 MAPT (0.49) MAPTMEN1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414138-B2 Benzoxazole and benzodiazole UV-A sunscreens DSM IP ASSETS B.V. (NL) 2008-08-19 US claimed
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-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 3618/4885MAPT 543/4885

“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.