SCHEMBL13698102

SCHEMBL13698102

COC1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)CCC(=O)CC(O)CC3)C(O)C(O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.39
NR1H3 Q13133 6/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
UBE2N P61088 1/20 0.32
KDM1A O60341 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL10048288 0.90 NR1H2 (0.38) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13895090 0.90 NR1H2 (0.38) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13698048 0.88 NFKB1 (0.40) NFKB1NFKB2RELAKDM1AACHE
SCHEMBL15996705 0.88 NFKB1 (0.40) NFKB1NFKB2RELAKDM1AACHE
SCHEMBL13698112 0.85 NFKB1 (0.55) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13698111 0.85 NFKB1 (0.55) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL10048264 0.85 NFKB1 (0.55) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13895145 0.75 NFKB1 (0.54) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13895010 0.75 NFKB1 (0.54) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL10048501 0.75 NR1H2 (0.49) NR1H2NR1H3NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H2 80/4885NR1H3 155/4885NFKB1 388/4885

“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.