SCHEMBL5208450

SCHEMBL5208450

OCC1=CCCc2c(O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
BCL2L1 Q07817 2/20 0.36
BAD Q92934 1/20 0.36
MAOB P27338 2/20 0.36
CYP19A1 P11511 2/20 0.35
MEN1 O00255 1/20 0.34
MAOA P21397 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11084592 0.84 PARP1 (0.40) PARP1BCL2L1BADMAOBCYP19A1
SCHEMBL5211828 0.78 PTGIR (0.44) PARP1MAOBCYP19A1PTGIRPTGDR
SCHEMBL5212129 0.75 PTGIR (0.42) PARP1PTGIRPTGDR
SCHEMBL5211156 0.74 CA12 (0.42) PARP1MAOBMAOAALDH1A1HSD17B10
SCHEMBL5489164 0.72 SIGMAR1 (0.46) MAOBMAOAHPGD
SCHEMBL5414067 0.72 CA12 (0.40) PARP1MAOBMAOAPTGIRPTGDR
SCHEMBL5110512 0.72 ALDH1A1 (0.51) PTGIRPTGDRALDH1A1HPGDHSD17B10
SCHEMBL5211044 0.71 SIGMAR1 (0.40) PTGIRPTGDRHPGD
SCHEMBL5211943 0.71 SIGMAR1 (0.38) PARP1PTGIRPTGDR
SCHEMBL1659163 0.66 PARP1 (0.35) PARP1BCL2L1BADMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354879-B1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-08-15 EP disclosed
EP-1354879-B1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-08-15 EP disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-20060287304-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-12-21 US disclosed
EP-1726586-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
EP-1354879-A1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 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 (2 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-20060287304-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient SREBF1, NR1H2, NR1H3 PARP1 4557/4885BCL2L1 2857/4885BAD 2593/4885
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient SREBF1, NR1H2, NR1H3 PARP1 4458/4885BCL2L1 2419/4885BAD 2259/4885

“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.