SCHEMBL12659729

SCHEMBL12659729

O=C(CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)COC1OCC(O)C(O)C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 5/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ SLC5A1 P13866 5/20 0.35
▸ SLC5A2 P31639 2/20 0.35
▸ SLC28A3 Q9HAS3 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC28A2 O43868 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL12659725 0.93 PPARG (0.40) TYRTRPV1SLC28A3HSD17B10PPARG
Alnuside B SCHEMBL22796510 0.77 PPARG (0.49) TYRSLC5A1SLC28A3HPGDHSD17B10
Alnuside B SCHEMBL12672476 0.77 PPARG (0.49) TYRSLC5A1SLC28A3HPGDHSD17B10
SCHEMBL31067732 0.74 TYR (0.48) TYRSLC5A1SLC5A2SLC28A3PPARG
Oregonin SCHEMBL12659728 0.72 PPARG (0.46) TYRTRPV1PPARGPPARDPPARA
Oregonin SCHEMBL29389089 0.72 PPARG (0.46) TYRTRPV1PPARGPPARDPPARA
SCHEMBL15821766 0.70 SLC5A1 (0.39) TRPV1SLC5A1SLC5A2SLC28A3HPGD
SCHEMBL15821769 0.70 SLC5A1 (0.39) TRPV1SLC5A1SLC5A2SLC28A3HPGD
SCHEMBL1882706 0.70 TRPV1 (0.40) TRPV1SLC5A1SLC5A2SLC28A3HPGD
SCHEMBL22795998 0.67 TYR (0.39) TYRTRPV1KDM4EMAPT

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 TYR 3542/4885TRPV1 3970/4885SLC5A1 3035/4885

“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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