SCHEMBL5045336

SCHEMBL5045336

CCCCC(CC)COC(=O)/C(=C/c1ccc(-c2nc3ccccc3o2)cc1)C(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5045340 1.00 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4HSD17B10KDM4E
SCHEMBL5045014 0.86 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4HSD17B10KDM4E
SCHEMBL14095578 0.86 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4HSD17B10KDM4E
SCHEMBL5045011 0.86 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4HSD17B10KDM4E
SCHEMBL14095573 0.84 MAPT (0.49) ALDH1A1HSD17B10KDM4EMAPTRAB9A
SCHEMBL14095576 0.84 MAPT (0.49) ALDH1A1HSD17B10KDM4EMAPTRAB9A
SCHEMBL5042031 0.80 MAPT (0.51) ALDH1A1HSD17B10KDM4EMAPTRAB9A
SCHEMBL5045089 0.78 MEN1 (0.57) ALDH1A1HSD17B10KDM4EMAPTRAB9A
SCHEMBL5042502 0.78 TLR7 (0.39) MAPTSMN1; SMN2LMNAMAPK1TDP1
SCHEMBL5042036 0.77 KDM4E (0.43) ALDH1A1HSD17B10KDM4EMAPTRAB9A

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 ALDH1A1 249/4885CA2 3164/4885CYP3A4 139/4885

“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.