SCHEMBL5544236

SCHEMBL5544236

COC(=O)CCCCCOc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
P2RY12 Q9H244 3/20 0.46
GAA P10253 1/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
LTA4H P09960 1/20 0.44
LTB4R Q15722 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL5542764 0.98 TSHR (0.45) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL3170416 0.93 MAPT (0.48) PDE3BPDE3AP2RY12LTA4HTSHR
SCHEMBL2446705 0.88 MAPT (0.47) LTA4HTSHRALDH1A1LMNAMAPT
SCHEMBL4275826 0.88 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL25270797 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL14566050 0.83 MAPT (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL839640 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL10944790 0.83 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL810018 0.82 PPARD (0.53) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL21260769 0.82 L3MBTL1 (0.57) HDAC1HDAC2HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229914-B1 COMPOSITIONS AND METHODS FOR TEMPORARILY SHAPING KERATIN-CONTAINING FIBERS HENKEL AG & CO KGAA (DE) 2020-07-08 EP disclosed
EP-3229762-B1 AGENTS AND METHODS FOR THE TEMPORARY SHAPING OF KERATIN-CONTAINING FIBERS HENKEL AG & CO KGAA (DE) 2019-03-13 EP disclosed
EP-3229765-B1 AGENTS AND METHODS FOR THE TEMPORARY SHAPING OF KERATIN-CONTAINING FIBERS HENKEL AG & CO KGAA (DE) 2019-03-13 EP disclosed
EP-2785418-B1 SHINE-PRODUCING HAIR TREATMENT AGENT HENKEL AG & CO KGAA (DE) 2019-01-09 EP disclosed
EP-3229913-B1 AGENTS AND METHODS FOR THE TEMPORARY SHAPING OF KERATIN-CONTAINING FIBERS HENKEL AG & CO KGAA (DE) 2019-01-02 EP disclosed
EP-2211832-B1 HAIR PREPARATION, PARTICULARLY STYLING AGENT, CONTAINING TWO COPOLYMERS HENKEL AG & CO KGAA (DE) 2017-03-29 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-2417183-B1 CURABLE COMPOSITION HENKEL AG & CO KGAA (DE) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HDAC1 322/4885HDAC2 502/4885HDAC8 993/4885

“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.