SCHEMBL5045097

SCHEMBL5045097

CCC(C)OC(=O)C(=Cc1ccc(-c2nc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
GLO1 Q04760 1/20 0.43
TSHR P16473 1/20 0.42
BCHE P06276 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CEPT1 Q9Y6K0 1/20 0.41
TP53 P04637 2/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL5045844 0.87 ESR1 (0.48) KDM4ERAB9ANPC1HSD17B10MAPT
SCHEMBL5042036 0.87 KDM4E (0.43) KDM4ERAB9ANPC1HSD17B10MAPT
SCHEMBL5042047 0.81 TLR7 (0.37) MAPTSMN1; SMN2POLB
SCHEMBL8577901 0.81 TP53 (0.58) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL5044889 0.81 TLR7 (0.43) MAPTSMN1; SMN2TP53POLB
SCHEMBL5045089 0.80 MEN1 (0.57) KDM4ERAB9ANPC1HSD17B10MAPT
SCHEMBL5050052 0.80 TLR7 (0.37) MAPTSMN1; SMN2POLB
SCHEMBL3224035 0.79 MEN1 (0.55) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL5041479 0.78 MAPT (0.38) MAPTSMN1; SMN2POLB
SCHEMBL5049478 0.77 MAPT (0.37) MAPTSMN1; SMN2POLB

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
US-20050260144-A1 Benzoxazole and benzodiazole uv-a sunscreens DSM IP ASSETS B.V. (NL) 2005-11-24 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-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 KDM4E 1981/4885RAB9A 3057/4885NPC1 919/4885

“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.