SCHEMBL4226006

SCHEMBL4226006

COc1cc2c(c(O)c1OC)CC(=O)C(c1cc(O)ccc1O)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R31 P59538 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PTPN1 P18031 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
XDH P47989 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
ACHE P22303 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36

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
SCHEMBL382209 0.82 TUBB4A (0.47) TAS2R31MAPTALDH1A1HPGDXDH
SCHEMBL27775950 0.82 ALDH1A1 (0.35) TAS2R31MAPTALDH1A1HPGDPTPN1
SCHEMBL27775453 0.77 NPC1 (0.44) TAS2R31MAPTALDH1A1HPGDPTPN1
SCHEMBL8066879 0.74 GSK3B (0.46) TAS2R31MAPTALDH1A1HPGDXDH
SCHEMBL29286026 0.73 ALDH1A1 (0.38) TAS2R31ALDH1A1HPGDABCB1XDH
SCHEMBL782044 0.73 TAS2R31 (0.74) TAS2R31MAPTALDH1A1HPGDPTPN1
SCHEMBL4225984 0.73 TAS2R31 (0.74) TAS2R31MAPTALDH1A1HPGDPTPN1
SCHEMBL28403906 0.73 ABCB1 (0.47) MAPTALDH1A1ABCB1ABCG2KDM4E
SCHEMBL7605697 0.72 XDH (0.42) TAS2R31ALDH1A1HPGDABCB1XDH
SCHEMBL28552152 0.72 NPC1 (0.55) MAPTABCB1ABCG2POLBGAA

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-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2009-10-29 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-20090270495-A1 Inhibitors of Phosphodiesterase Types 1 To 5 Based on Dioclein, Floranol, and Analogs Thereof PDE5A, PDE12, PDE2A TAS2R31 3553/4885MAPT 3111/4885ALDH1A1 1305/4885

“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.