SCHEMBL17431233

SCHEMBL17431233

Cc1cc(OOI)c(O)cc1-c1cc(OS)ccc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ G6PD P11413 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL18922917 0.87 GAA (0.41) KDM4EMAPTG6PDMAPK1ALDH1A1
SCHEMBL16024771 0.73 NPC1 (0.46) KDM4EMAPTG6PDMAPK1ALDH1A1
SCHEMBL18924725 0.65 MAOB (0.58) KDM4EMAPTG6PDMAPK1ALDH1A1
SCHEMBL19820292 0.65 ALDH1A1 (0.41) KDM4EMAPTG6PDMAPK1ALDH1A1
SCHEMBL29763172 0.60 NPC1 (0.61) KDM4EMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL8440252 0.60 NPC1 (0.61) KDM4EMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL8576981 0.58 CYP3A4 (0.55) KDM4EMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL29083062 0.57 GAA (0.52) KDM4EMAPTMAPK1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6781089 0.56 ALDH1A1 (0.53) KDM4EMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL17431237 0.56 TRPA1 (0.41) KDM4EMAPTMAPK1ALDH1A1HPGD

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-9670239-B2 Bisphosphites having an outer naphthyl-phenyl unit and a central 2,3′-biphenol unit EVONIK DEGUSSA GMBH (DE) 2017-06-06 — — US disclosed
US-20160159836-A1 BISPHOSPHITES HAVING AN OUTER NAPHTHYL-PHENYL UNIT AND A CENTRAL 2,3'-BIPHENOL UNIT EVONIK DEGUSSA GMBH (DE) 2016-06-09 — — US disclosed
US-20160010225-A1 ELECTROCHEMICAL COUPLING OF TWO PHENOLS WHICH DIFFER IN THEIR OXIDATION POTENTIAL EVONIK DEGUSSA GMBH (DE) 2016-01-14 — — 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-20160010225-A1 ELECTROCHEMICAL COUPLING OF TWO PHENOLS WHICH DIFFER IN THEIR OXIDATION POTENTIAL COMT, MT-CO2, CYP11B2 KDM4E 1291/4885MAPT 4363/4885G6PD 446/4885
US-20160159836-A1 BISPHOSPHITES HAVING AN OUTER NAPHTHYL-PHENYL UNIT AND A CENTRAL 2,3'-BIPHENOL UNIT BPGM, PHOSPHO1, PPA1 KDM4E 2755/4885MAPT 3327/4885G6PD 1094/4885

“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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