SCHEMBL2980903

SCHEMBL2980903

OCCCc1c(O)ccc(O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.37
POLB P06746 1/20 0.36
CA2 P00918 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALOX15 P16050 3/20 0.33
IGF1R P08069 2/20 0.33
TYR P14679 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.32
PIM1 P11309 1/20 0.32
ADAMTS4 O75173 1/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
LMNA P02545 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
SCHEMBL7708587 0.87 KDM4E (0.41) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2982538 0.85 ALDH1A1 (0.44) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL7544746 0.79 HPGD (0.52) KDM4EALDH1A1ALOX5ESR1ESR2
SCHEMBL2989121 0.78 KDM4E (0.41) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL6280911 0.77 TYR (0.56) KDM4EALDH1A1ALOX5GAAMAPT
1,4-Butanediol SCHEMBL9285180 0.75 KDM4E (0.44) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL2976454 0.74 TYR (0.44) KDM4EALDH1A1CA2ESR1ESR2
1,6-Hexanediol SCHEMBL9278879 0.73 KDM4E (0.43) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL10987134 0.73 KDM4E (0.43) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL28929217 0.71 CA2 (0.38) KDM4EALDH1A1MAPTPOLBCA2

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-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 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 (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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 KDM4E 1048/4885ALDH1A1 567/4885ALOX5 63/4885

“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.