SCHEMBL125575

SCHEMBL125575

CC(C)C(=O)Oc1coccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ELANE P08246 3/20 0.40
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
FGFR1 P11362 2/20 0.36
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
ADORA2B P29275 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL126289 0.81 ALOX15 (0.41) ALOX15ELANEFGFR1TRPA1CYP3A4
SCHEMBL10944602 0.80 CA12 (0.41) ALOX15
SCHEMBL128069 0.79 ELANE (0.40) ELANETRPA1CYP3A4ADORA2BADORA1
SCHEMBL124897 0.77 ELANE (0.43) ELANETRPA1CYP3A4
SCHEMBL28966310 0.77 ELANE (0.52) ALOX15ELANEADRB2ADRA2ADRD2
SCHEMBL10943835 0.72 ELANE (0.50) ALOX15ELANEKMT2AMEN1
SCHEMBL3517259 0.71
SCHEMBL24260321 0.69 IRAK4 (0.38) ALOX15ELANEADRB2ADRA2ADRD2
SCHEMBL24260525 0.69 ADRB2 (0.40) ALOX15ELANEADRB2ADRA2ADRD2
SCHEMBL3851729 0.69 MMP2 (0.38) TRPA1CYP3A4ALOX5ADORA2BSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428577-A1 Preparation of tyrosinase-inhibiting hydroxybenzyl and hydroxypyranonemethyl esters EASTMAN CHEMICAL COMPANY (US) 2012-03-14 EP disclosed
EP-2155886-B1 Cosmetic use of inhibitors of tyrosinase EASTMAN CHEM CO (US) 2012-03-07 EP disclosed
US-20110129430-A1 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS EASTMAN CHEMICAL COMPANY (US) 2011-06-02 US disclosed
EP-2155886-A2 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS Eastman Chemical Company (US) 2010-02-24 EP disclosed
WO-2008153784-A2 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS EASTMAN CHEMICAL COMPANY (US) 2008-12-18 WO disclosed
US-20080306144-A1 Hydroxybenzyl or hydroxypyranonemethyl esters as tyrosinase inhibitors EASTMAN CHEMICAL COMPANY 2008-12-11 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-20080306144-A1 Hydroxybenzyl or hydroxypyranonemethyl esters as tyrosinase inhibitors TYR, TH, HAAO ALOX15 1480/4885ELANE 195/4885ADRB2 2184/4885
US-20110129430-A1 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS TYR, TH, HAAO ALOX15 1480/4885ELANE 195/4885ADRB2 2184/4885

“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.