SCHEMBL5210680

SCHEMBL5210680

COC(=O)CCC1=CCCc2c(O)cccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.39
PTGDR Q13258 1/20 0.39
SIGMAR1 Q99720 4/20 0.37
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TNF P01375 1/20 0.34

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
SCHEMBL5211044 0.91 SIGMAR1 (0.40) PTGIRPTGDRSIGMAR1ABCB1
SCHEMBL5110512 0.87 ALDH1A1 (0.51) PTGIRPTGDRALDH1A1GAACA12
SCHEMBL5211828 0.83 PTGIR (0.44) PTGIRPTGDRSIGMAR1PARP1
SCHEMBL5211677 0.78 SIGMAR1 (0.38) PTGIRPTGDRSIGMAR1ABCB1PARP1
SCHEMBL5212129 0.77 PTGIR (0.42) PTGIRPTGDRSIGMAR1ABCB1PARP1
SCHEMBL5211156 0.76 CA12 (0.42) ALDH1A1GAAPARP1CA12CA1
SCHEMBL5208400 0.74 SIGMAR1 (0.55) PTGIRPTGDRSIGMAR1ABCB1
SCHEMBL5208450 0.74 PARP1 (0.41) PTGIRPTGDRALDH1A1PARP1
SCHEMBL5211943 0.73 SIGMAR1 (0.38) PTGIRPTGDRSIGMAR1ABCB1PARP1
SCHEMBL11084592 0.72 PARP1 (0.40) PTGIRPTGDRPARP1

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 PTGIR 376/4885PTGDR 1045/4885SIGMAR1 1017/4885
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient SREBF1, NR1H2, NR1H3 PTGIR 384/4885PTGDR 1266/4885SIGMAR1 542/4885

“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.