SCHEMBL128069

SCHEMBL128069

CCCCC(C)C(=O)Oc1coccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.40
CETP P11597 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CA2 P00918 1/20 0.35
ADORA2B P29275 2/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL124897 0.95 ELANE (0.43) ELANECETPTRPA1CYP3A4ALDH1A1
SCHEMBL125575 0.79 ALOX15 (0.41) ELANETRPA1CYP3A4ADORA2BADORA1
SCHEMBL10943835 0.78 ELANE (0.50) ELANECETPLMNA
SCHEMBL10950684 0.78 ELANE (0.50) ELANECETPLMNA
SCHEMBL126289 0.78 ALOX15 (0.41) ELANETRPA1CYP3A4ALDH1A1LMNA
SCHEMBL15547130 0.76 CYP3A4 (0.49) CYP3A4ALDH1A1CA2LMNATSHR
SCHEMBL15548676 0.74 KDM4E (0.46) ELANECYP3A4ALDH1A1CA2LMNA
SCHEMBL15548954 0.72 PRSS1 (0.49) CYP3A4ALDH1A1CA2LMNATSHR
SCHEMBL15547939 0.71 PTGS2 (0.52) CYP3A4ALDH1A1CA2TSHRHSD17B10
SCHEMBL6900485 0.71 CYP1A2 (0.41) CETPCYP3A4ALDH1A1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428577-B1 Preparation of tyrosinase-inhibiting hydroxybenzyl and hydroxypyranonemethyl esters EASTMAN CHEM CO (US) 2014-01-22 EP disclosed
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
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 ELANE 195/4885CETP 913/4885TRPA1 4350/4885
US-20110129430-A1 HYDROXYBENZYL OR HYDROXYPYRANONEMETHYL ESTERS AS TYROSINASE INHIBITORS TYR, TH, HAAO ELANE 195/4885CETP 913/4885TRPA1 4350/4885

“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.