SCHEMBL730348

SCHEMBL730348

COc1ccc(/C=C/C(=O)OC(C(=O)O)C(OC(=O)/C=C/c2ccc(OC)c(OC)c2)C(=O)O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALOX15 P16050 2/20 0.66
HSD17B10 Q99714 2/20 0.66
HPGD P15428 1/20 0.66
MAPK1 P28482 1/20 0.66
TP53 P04637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
NFE2L2 Q16236 1/20 0.60
TTR P02766 1/20 0.60
KMT2A Q03164 4/20 0.58
ABCG2 Q9UNQ0 2/20 0.58
MEN1 O00255 1/20 0.58
MMP1 P03956 5/20 0.58
FDPS P14324 1/20 0.57
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL889739 0.92 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL14259641 0.85 TDP1 (0.80) KDM4EALOX15HSD17B10HPGDTP53
SCHEMBL7627853 0.85 HSD17B10 (0.80) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL30075809 0.83 TP53 (0.60) KDM4EALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL5597077 0.82 SRC (0.75) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL10028945 0.82 SRC (0.75) KDM4EALDH1A1ALOX15HSD17B10HPGD
Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411956 0.82 FDPS (0.80) KDM4EALDH1A1SMN1; SMN2ALOX15HSD17B10
Methyl Cis-3,4-Dimethoxycinnamate SCHEMBL2411955 0.82 FDPS (0.80) KDM4EALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL890347 0.81 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL10929437 0.81 SMN1; SMN2 (0.71) KDM4EALDH1A1SMN1; SMN2ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9491962-B2 Use of chicoric acid and derivatives for regulating skin pigmentation NESTEC S.A. (CH) 2016-11-15 US disclosed
US-9192554-B2 Use of chicoric acid and lactic bacterium in food supplement for regulating skin pigmentation NESTEC S.A. (CH) 2015-11-24 US disclosed
US-20130108601-A1 USE OF CHICORIC ACID AND LACTIC BACTERIUM IN FOOD SUPPLEMENT FOR REGULATING SKIN PIGMENTATION L'OREAL (FR) 2013-05-02 US disclosed
US-20130095070-A1 USE OF CHICORIC ACID AND DERIVATIVES FOR REGULATING SKIN PIGMENTATION L'OREAL (FR) 2013-04-18 US disclosed
WO-2012000954-A1 USE OF CHICORIC ACID AND DERIVATIVES FOR REGULATING SKIN PIGMENTATION NESTEC S.A. (CH) 2012-01-05 WO disclosed
WO-2012000960-A1 USE OF CHICORIC ACID AND DERIVATIVES FOR REGULATING SKIN PIGMENTATION NESTEC S.A. (CH) 2012-01-05 WO disclosed
WO-2010086322-A1 COMPOSITION COMPRISING CHICORIC ACID AND/OR DERIVATIVES THEREOF NESTEC S.A. (CH) 2010-08-05 WO disclosed
EP-2210504-A1 Composition comprising chicoric acid and/or derivatives thereof Nestec S.A. (CH) 2010-07-28 EP 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-20130108601-A1 USE OF CHICORIC ACID AND LACTIC BACTERIUM IN FOOD SUPPLEMENT FOR REGULATING SKIN PIGMENTATION TYR, LCT, MITF KDM4E 1797/4885ALDH1A1 511/4885SMN1; SMN2 4133/4885
US-20130095070-A1 USE OF CHICORIC ACID AND DERIVATIVES FOR REGULATING SKIN PIGMENTATION TYR, MITF, MC1R KDM4E 1238/4885ALDH1A1 1463/4885SMN1; SMN2 3849/4885

“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.