SCHEMBL5045313

SCHEMBL5045313

CCCCC(CC)COC(=O)C(C#N)=Cc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPK1 P28482 1/20 0.40
CETP P11597 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL14135881 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5045310 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5045011 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL5045014 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL14095578 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL10644154 0.79 ALDH1A1 (0.58) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL2585864 0.77 ALDH1A1 (0.59) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL2585860 0.77 ALDH1A1 (0.59) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL4139257 0.74 ALDH1A1 (0.53) MAPTALDH1A1LMNAMAPK1NPC1
SCHEMBL4139254 0.74 ALDH1A1 (0.53) MAPTALDH1A1LMNAMAPK1NPC1

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 HDAC3 377/4885HDAC1 438/4885HDAC2 553/4885

“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.