Arbutin

Arbutin

SCHEMBL13971238

OCC1O[C@@H](Oc2ccc(O)cc2)C(O)C(O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TYR

The experimentally established mechanism targets of Arbutin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYR known ✓ P14679 4/20 1.00
▸ POLB P06746 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ MAPT P10636 1/20 0.67
▸ G6PD P11413 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ NPC1 O15118 1/20 0.59
▸ ALDH1A2 O94788 1/20 0.59
▸ ALDH2 P05091 1/20 0.59
▸ ALDH1B1 P30837 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ IL2 P60568 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ DPP4 P27487 1/20 0.59

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
Arbutin SCHEMBL13313589 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL435261 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL4287194 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL285242 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL15483307 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL4288562 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL18920265 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL4285717 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL36351 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT
Arbutin SCHEMBL18175043 1.00 TYR (1.00) TYRPOLBKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197897-A1 Skin Lightening Compounds WISYS TECH FOUND INC (US) 2017-07-13 — — US disclosed
US-20090028969-A1 Compostion for treating skin BAYER CONSUMER CARE AG (CH) 2009-01-29 — — 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 (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-20090028969-A1 Compostion for treating skin TYR, CAT, MMP7 TYR 1/4885POLB 75/4885KDM4E 2760/4885
US-20170197897-A1 Skin Lightening Compounds TYR, MC1R, MCHR1 TYR 1/4885POLB 2675/4885KDM4E 2442/4885

“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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