SCHEMBL4081685

SCHEMBL4081685

O=C(CCCl)OCCCCCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 1/20 0.44
PPARA Q07869 1/20 0.43
PRMT1 Q99873 3/20 0.42
F2 P00734 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
PLAU P00749 1/20 0.42
PRMT5 O14744 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TMPRSS2 O15393 1/20 0.42
PTP4A3 O75365 1/20 0.42
SLC22A3 O75751 1/20 0.42

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
SCHEMBL7646498 0.98 HTT (0.50) HTTGAAL3MBTL1POLBAPEX1
SCHEMBL3562863 0.95 HTT (0.47) HTTGAAL3MBTL1POLBAPEX1
SCHEMBL1667037 0.88 HTT (0.68) HTTGAAL3MBTL1POLBAPEX1
SCHEMBL31228620 0.87 GAA (0.59) HTTGAAL3MBTL1TP53TSHR
SCHEMBL3626122 0.87 GAA (0.59) HTTGAAL3MBTL1TP53TSHR
SCHEMBL7646875 0.86 HTT (0.66) HTTL3MBTL1POLBAPEX1TDP1
SCHEMBL9615211 0.85 GAA (0.66) HTTGAAL3MBTL1TP53TSHR
SCHEMBL20810644 0.84 NR5A1 (0.53) HTTGAAL3MBTL1POLBTSHR
SCHEMBL15582454 0.84 RARB (0.63) HTTL3MBTL1POLBAPEX1TDP1
SCHEMBL2039841 0.84 L3MBTL1 (0.55) GAAL3MBTL1TP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1247796-B1 Photoisomerizable compounds MERCK PATENT GMBH (DE) 2009-05-13 EP disclosed
US-6849203-B2 Photoisomerizable compounds MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2005-02-01 US disclosed
US-20020187282-A1 Photoisomerizable compounds MERCK PATENT (DE) 2002-12-12 US disclosed
EP-1247796-A2 Photoisomerizable compounds MERCK PATENT GmbH (DE) 2002-10-09 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-20020187282-A1 Photoisomerizable compounds CRY1, LBR, MAPRE1 HTT 2189/4885GAA 3088/4885L3MBTL1 431/4885

“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.