Hesperidin

Hesperidin

SCHEMBL24105886

COc1ccc(C2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 1.00
▸ GSK3B P49841 3/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ POLB P06746 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ CALM1 P0DP23 1/20 1.00
▸ CACNA1B Q00975 1/20 1.00
▸ APBA1 Q02410 1/20 1.00
▸ CTDSP1 Q9GZU7 1/20 1.00
▸ DPP4 P27487 2/20 0.85
▸ PTPN1 P18031 3/20 0.83
▸ PKM P14618 2/20 0.65
▸ SLCO2B1 O94956 2/20 0.64
▸ SYNJ2 O15056 1/20 0.64
▸ CYP19A1 P11511 3/20 0.62
▸ UBE2N P61088 1/20 0.62
▸ TP53 P04637 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59

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
Hesperidin SCHEMBL17849327 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL17849125 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL4450832 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL15214210 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL765367 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL8018716 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL3764160 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL18654117 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL22946699 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB
Hesperidin SCHEMBL94586 1.00 KDM1A (1.00) KDM1AGSK3BMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386686-A1 Compositions Comprising Guaifenesin and Flavour Compounds Containing an Isovanillyl Group SYMRISE AG (DE) 2021-12-16 — — 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-20210386686-A1 Compositions Comprising Guaifenesin and Flavour Compounds Containing an Isovanillyl Group TAS1R1, TAS2R40, TAS2R5 KDM1A 4168/4885GSK3B 4751/4885MEN1 3363/4885

“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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