SCHEMBL2988595

SCHEMBL2988595

NCCCC[C@H](Nc1c(O)cccc1O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGDS O60760 1/20 0.44
FOLH1 Q04609 1/20 0.44
TLR2 O60603 1/20 0.41
GSR P00390 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
PYGL P06737 1/20 0.39
CPB2 Q96IY4 2/20 0.38
ACE P12821 2/20 0.38

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
SCHEMBL6578880 0.80 MMP2 (0.56) MMP2MMP9CA1CA2FOLH1
SCHEMBL6578877 0.80 MMP2 (0.56) MMP2MMP9CA1CA2FOLH1
SCHEMBL7543508 0.79 MMP2 (0.47) MMP2MMP9CA1CA2HPGDS
SCHEMBL7543514 0.79 MMP2 (0.47) MMP2MMP9CA1CA2HPGDS
SCHEMBL2982685 0.77 MMP2 (0.45) MMP2MMP9CA1CA2HPGDS
SCHEMBL2982680 0.77 MMP2 (0.45) MMP2MMP9CA1CA2HPGDS
SCHEMBL8209818 0.77 CA1 (0.48) MMP2MMP9CA1CA2HPGDS
SCHEMBL8209820 0.77 CA1 (0.48) MMP2MMP9CA1CA2HPGDS
SCHEMBL29022050 0.75 TLR2 (0.49) MMP2MMP9CA1CA2FOLH1
SCHEMBL29022047 0.75 ALOX5 (0.50) MMP2MMP9CA1CA2HPGDS

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 MMP2 75/4885MMP9 64/4885CA1 4881/4885

“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.