SCHEMBL12659733

SCHEMBL12659733

Oc1ccc(CCCC[C@@H](CCc2ccc(O)c(O)c2)OC2OCC(O)C(O)C2O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.49
▸ PPARD Q03181 3/20 0.49
▸ PPARA Q07869 3/20 0.49
▸ TYR P14679 5/20 0.46
▸ IGF1R P08069 7/20 0.43
▸ ALOX15 P16050 7/20 0.43

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
Oregonin SCHEMBL12659728 0.83 PPARG (0.46) PPARGPPARDPPARATYR
Oregonin SCHEMBL29389089 0.83 PPARG (0.46) PPARGPPARDPPARATYR
Alnuside B SCHEMBL22796510 0.79 PPARG (0.49) PPARGPPARDPPARATYR
Alnuside B SCHEMBL12672476 0.79 PPARG (0.49) PPARGPPARDPPARATYR
SCHEMBL22796348 0.75 PPARG (0.40) PPARGPPARDPPARATYR
SCHEMBL12659725 0.68 PPARG (0.40) PPARGPPARDPPARATYRIGF1R
SCHEMBL26361996 0.66 ALOX15 (0.63) IGF1RALOX15
SCHEMBL2307446 0.66 ALOX15 (1.00) IGF1RALOX15
SCHEMBL10966306 0.66 TYR (0.39) TYR
SCHEMBL14790112 0.66 ALOX15 (0.68) PPARGPPARDPPARAIGF1RALOX15

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-20110105738-A1 DIARYL HEPATONOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS RNL BIO CO., LTD. (KR) 2011-05-05 — — US disclosed
US-20110105738-A1 DIARYL HEPATONOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS RNL BIO CO., LTD. (KR) 2011-05-05 — — US 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-20110105738-A1 DIARYL HEPATONOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS HAVCR2, CYP7A1, CYP51A1 PPARG 4555/4885PPARD 4087/4885PPARA 4243/4885

“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.

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