SCHEMBL4452379

SCHEMBL4452379

O=C(O)C(O)=Cc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.53
NFKB1 P19838 2/20 0.53
CA1 P00915 2/20 0.53
CA4 P22748 2/20 0.53
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
JUN P05412 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TRPA1 O75762 1/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CTRC Q99895 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
BCHE P06276 1/20 0.44
GUSB P08236 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL7607193 0.83 NFKB1 (0.53) CA2NFKB1CA1CA4TRIM24
SCHEMBL1137305 0.79 AKR1C3 (0.59) CA2NFKB1CA1CA4TRIM24
SCHEMBL9132013 0.79 NFKB1 (0.50) CA2NFKB1CA1CA4TRIM24
SCHEMBL7067854 0.79 CA2 (0.50) CA2NFKB1CA1CA4TRIM24
SCHEMBL9132020 0.79 NFKB1 (0.50) CA2NFKB1CA1CA4TRIM24
SCHEMBL7067852 0.79 CA2 (0.50) CA2NFKB1CA1CA4TRIM24
SCHEMBL208434 0.79 AKR1C3 (0.59) CA2NFKB1CA1CA4TRIM24
SCHEMBL18037005 0.78 CTNNB1 (0.46) NFKB1LMNAMAPTTSHRKDM4E
SCHEMBL28850187 0.77 ALDH1A1 (0.50) LMNATSHRKDM4EALDH1A1HPGD
SCHEMBL393439 0.75 EGFR (0.66) LMNAMAPTKDM4EALDH1A1HPGD

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-20090028969-A1 Compostion for treating skin BAYER CONSUMER CARE AG (CH) 2009-01-29 US disclosed
EP-1996295-A1 COMBINATION OR PLANT EXTRACT COMPRISING VERBASCOSIDE AND LUTEOLIN AND THEIR USE IN A COSMETICALLY OR PHARMACEUTICAL COMPOSITION FOR PIGMENTATION MODULATION Bayer Consumer Care AG (CH) 2008-12-03 EP disclosed
WO-2007098873-A1 COMBINATION OR PLANT EXTRACT COMPRISING VERBASCOSIDE AND LUTEOLIN AND THEIR USE IN A COSMETICALLY OR PHARMACEUTICAL COMPOSITION FOR PIGMENTATION MODULATION BAYER CONSUMER CARE AG (CH) 2007-09-07 WO 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 (1 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 CA2 3475/4885NFKB1 2836/4885CA1 4663/4885

“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.