SCHEMBL13237123

SCHEMBL13237123

O=c1cc(-c2ccc(O)cc2)oc2cc(S)cc(O)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.76
▸ MAPT P10636 7/20 0.76
▸ MEN1 O00255 6/20 0.76
▸ CYP3A4 P08684 6/20 0.76
▸ ABCB1 P08183 6/20 0.76
▸ CYP1A1 P04798 5/20 0.76
▸ CYP1B1 Q16678 5/20 0.76
▸ FLT3 P36888 5/20 0.76
▸ MAOB P27338 5/20 0.76
▸ CYP2C9 P11712 5/20 0.76
▸ CYP2C19 P33261 5/20 0.76
▸ HPGD P15428 4/20 0.76
▸ IP6K2 Q9UHH9 4/20 0.76
▸ SLCO2B1 O94956 4/20 0.76
▸ FTO Q9C0B1 4/20 0.76
▸ MAPK1 P28482 4/20 0.76
▸ MKNK2 Q9HBH9 4/20 0.76
▸ GABRP O00591 4/20 0.76
▸ GABRD O14764 4/20 0.76
▸ GABRA1 P14867 4/20 0.76

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
SCHEMBL13237064 0.87 POLH (0.74) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL29351464 0.86 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL5083245 0.86 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL19428 0.86 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL29872582 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL31168790 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL29968480 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL31477961 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL30544810 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4ABCB1
Apigenin SCHEMBL1658882 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759317-B2 Analgesic and anti-inflammatory compositions and methods with flavonoid glycoside-type compounds BMB PATENT HOLDING CORPORATION (US) 2010-07-20 — — US disclosed
US-7759317-B2 Analgesic and anti-inflammatory compositions and methods with flavonoid glycoside-type compounds BMB PATENT HOLDING CORPORATION (US) 2010-07-20 — — US disclosed
US-20080171708-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS AND METHODS WITH FLAVONOID GLYCOSIDE-TYPE COMPOUNDS BMB PATENT HOLDING CORPORATION (US) 2008-07-17 — — US disclosed
US-20080171708-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS AND METHODS WITH FLAVONOID GLYCOSIDE-TYPE COMPOUNDS BMB PATENT HOLDING CORPORATION (US) 2008-07-17 — — US disclosed
WO-2008083332-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS AND METHODS WITH FLAVONOID GLYCOSIDE -TYPE COMPOUNDS BMB PATENT HOLDING CORPORATION (US) 2008-07-10 — — WO 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-20080171708-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS AND METHODS WITH FLAVONOID GLYCOSIDE-TYPE COMPOUNDS PTGS1, PTGS2, PTGES KMT2A 3824/4885MAPT 3386/4885MEN1 4859/4885

“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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