SCHEMBL15575116

SCHEMBL15575116

Cc1c(O)cc(O)c(C(=O)/C=C/c2ccccc2)c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 2/20 0.65
▸ SLC5A2 P31639 2/20 0.65
▸ CYP2C19 P33261 2/20 0.61
▸ CYP19A1 P11511 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MAOA P21397 1/20 0.61
▸ MAOB P27338 1/20 0.61
▸ ABCB1 P08183 1/20 0.60
▸ MAPT P10636 6/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ KCNA3 P22001 1/20 0.57
▸ CYP3A4 P08684 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ BCHE P06276 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL15575117 1.00 SLC5A1 (0.65) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL29396796 0.85 MAPT (0.68) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL662966 0.85 MAPT (0.74) CYP2C19CYP19A1CYP2C9MAOAMAOB
SCHEMBL662967 0.85 MAPT (0.74) CYP2C19CYP19A1CYP2C9MAOAMAOB
SCHEMBL15598378 0.83 ABCB1 (0.70) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL29435902 0.83 ABCB1 (0.70) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL25234449 0.83 SLC5A1 (0.76) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL17483792 0.83 SLC5A1 (0.76) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL8252412 0.81 CYP19A1 (0.68) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9
SCHEMBL17265614 0.79 ABCB1 (0.72) SLC5A1SLC5A2CYP2C19CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888012-B1 ORAL CARE UNIV PRETORIA (ZA) 2020-06-17 — — EP disclosed
EP-2888012-A2 ORAL CARE University of Pretoria (ZA) 2015-07-01 — — EP disclosed
US-20150174059-A1 ORAL CARE UNIVERSITY OF PRETORIA (ZA) 2015-06-25 — — US disclosed
WO-2014033625-A2 ORAL CARE UNIVERSITY OF PRETORIA (ZA) 2014-03-06 — — 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-20150174059-A1 ORAL CARE NOP2, POLR1C, DPM1 SLC5A1 4623/4885SLC5A2 4424/4885CYP2C19 715/4885

“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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