SCHEMBL3978084

SCHEMBL3978084

O=C(O)CC(CC(=O)OC(=O)c1ccccn1)(OO)C(=O)O.[Zn]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.40
LMNA P02545 2/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5449917 0.97 L3MBTL1 (0.40) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2
SCHEMBL811550 0.76 KMT2A (0.49) L3MBTL1LMNAKMT2AALDH1A1THRB
SCHEMBL29120007 0.74 L3MBTL1 (0.50) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2
SCHEMBL29120006 0.73 CES2 (0.53) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2
SCHEMBL14609300 0.72 ALDH1A1 (0.53) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2
SCHEMBL31633615 0.71 CES2 (0.64) L3MBTL1LMNANAPRTP4HTMNPSR1
SCHEMBL1228223 0.71 CES2 (0.64) L3MBTL1LMNANAPRTP4HTMNPSR1
SCHEMBL6078786 0.70 CES2 (0.50) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2
SCHEMBL27454868 0.70 KMT2A (0.61) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2
SCHEMBL27757257 0.70 NPC1 (0.51) L3MBTL1LMNANAPRTP4HTMSMN1; SMN2

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
US-20130267483-A1 Hydroxy Acid Complexes for Skin Antiaging, Acne, and Skin Whitening BIODERM RESEARCH (US) 2013-10-10 US disclosed
US-20120189569-A1 Hydroxy Acid Complexes for Skin Renovation and Clarity BIODERM RESEARCH (US) 2012-07-26 US disclosed
US-20090209642-A1 Hydroxy Acid Complexes for Antiaging and Skin Renovation BIODERM RESEARCH (US) 2009-08-20 US disclosed
US-7547454-B2 Hydroxy acid complexes for antiaging and skin renovation GUPTA SHYAM K 2009-06-16 US disclosed
US-20070092461-A1 Novel Hydroxy Acid Complexes for Antiaging and Skin Renovation BIODERM RESEARCH (US) 2007-04-26 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 (3 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-20120189569-A1 Hydroxy Acid Complexes for Skin Renovation and Clarity CUTA, TYR, RBP4 L3MBTL1 3628/4885LMNA 3463/4885NAPRT 2597/4885
US-20090209642-A1 Hydroxy Acid Complexes for Antiaging and Skin Renovation CUTA, SLC30A6, SLC30A7 L3MBTL1 2810/4885LMNA 3195/4885NAPRT 2821/4885
US-20130267483-A1 Hydroxy Acid Complexes for Skin Antiaging, Acne, and Skin Whitening CUTA, TYR, SLC30A6 L3MBTL1 2887/4885LMNA 2392/4885NAPRT 2991/4885

“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.