SCHEMBL329311

SCHEMBL329311

O[C@H]1CCCCc2cc[c]c(c2)Oc2ccc(cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL368382 1.00 NFKB1 (0.44) NFKB1NFKB2RELA
Acerogenin B SCHEMBL329405 0.76 NFKB1 (0.52) NFKB1NFKB2RELA
Acerogenin B SCHEMBL13698043 0.76 NFKB1 (0.52) NFKB1NFKB2RELA
Acerogenin A SCHEMBL10048511 0.76 NFKB1 (0.52) NFKB1NFKB2RELA
Acerogenin A SCHEMBL329008 0.76 NFKB1 (0.52) NFKB1NFKB2RELA
SCHEMBL10048264 0.67 NFKB1 (0.55) NFKB1NFKB2RELA
Acerogenin K SCHEMBL13698051 0.66 NFKB1 (0.47) NFKB1NFKB2RELA
SCHEMBL18126510 0.61 NR1H2 (0.48) NFKB1NFKB2RELA
SCHEMBL29118557 0.59
SCHEMBL20445626 0.53 TSHR (0.54)

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
US-8822705-B2 Pharmaceutical composition for preventing and/or treating bone disease, functional food or health food and pharmaceutical preparation comprising thereof as active ingredient Akihisa, Toshihiro (JP) 2014-09-02 US disclosed
EP-2407160-A1 Pharmaceutical composition for prevention and/or treatment of bone disease, functional food or health food comprising the composition, and pharmaceutical preparation comprising the composition as active ingredient Akihisa, Toshihiro (JP) 2012-01-18 EP disclosed
US-20090227527-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING BONE DISEASE, FUNCTIONAL FOOD OR HEALTH FOOD AND PHARMACEUTICAL PREPARATION COMPRISING THEREOF AS ACTIVE INGREDIENT Akihisa, Toshihiro (JP) 2009-09-10 US disclosed
EP-2050442-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF BONE DISEASE, FUNCTIONAL FOOD OR HEALTH FOOD COMPRISING THE COMPOSITION, AND PHARMACEUTICAL PREPARATION COMPRISING THE COMPOSITION AS ACTIVE INGREDIENT Akihisa, Toshihiro (JP) 2009-04-22 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 (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-20090227527-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING BONE DISEASE, FUNCTIONAL FOOD OR HEALTH FOOD AND PHARMACEUTICAL PREPARATION COMPRISING THEREOF AS ACTIVE INGREDIENT HRH1, HRH2, HRH3 NFKB1 388/4885NFKB2 1238/4885RELA 364/4885

“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.