SCHEMBL18272677

SCHEMBL18272677

Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ ACHE P22303 1/20 0.58
▸ TYR P14679 2/20 0.56
▸ SLC28A3 Q9HAS3 3/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ SLC5A2 P31639 1/20 0.54
▸ CA12 O43570 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ CA1 P00915 3/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA13 Q8N1Q1 1/20 0.54
▸ PTGS1 P23219 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL14773326 0.84 EPHX2 (0.64) POLBACHETYRSLC28A3EPHX2
SCHEMBL19861398 0.83 ACHE (0.59) POLBACHETYREPHX2PTGS1
SCHEMBL16942517 0.83 EPHX2 (0.63) POLBACHETYRSLC28A3EPHX2
SCHEMBL13348609 0.83 EPHX2 (0.63) POLBACHETYRSLC28A3EPHX2
SCHEMBL23479692 0.83 SLC5A2 (0.68) POLBACHETYRSLC28A3EPHX2
SCHEMBL23479740 0.83 SLC5A2 (0.68) POLBACHETYRSLC28A3EPHX2
SCHEMBL28789347 0.83 SLC5A2 (0.68) POLBACHETYRSLC28A3EPHX2
SCHEMBL23480032 0.83 SLC5A2 (0.68) POLBACHETYRSLC28A3EPHX2
SCHEMBL23031046 0.82 TYR (0.63) POLBACHETYREPHX2CA12
SCHEMBL4367625 0.82 TYR (0.63) POLBACHETYRSLC28A3SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2019-03-21 — — US disclosed
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2016-12-01 — — US disclosed
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof Thanares GmbH (DE) 2016-12-01 — — 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 (2 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-20190085007-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 POLB 4824/4885ACHE 1080/4885TYR 219/4885
US-20160347782-A1 4-methylcatechol Derivatives and Uses Thereof ST3GAL3, GALE, DPP4 POLB 4824/4885ACHE 1080/4885TYR 219/4885

“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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