SCHEMBL490534

SCHEMBL490534

COc1ccc(CCC(=O)OCCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
MAPT P10636 5/20 0.68
ALOX5 P09917 2/20 0.67
APP P05067 1/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
FFAR1 O14842 2/20 0.59
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
LMNA P02545 1/20 0.56
F2RL1 P55085 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL15164347 0.94 F2RL1 (0.62) TDP1MAPTALOX5APPNPC1
SCHEMBL490411 0.88 ALOX5 (0.71) TDP1MAPTALOX5APPNPC1
SCHEMBL22693977 0.88 MAPT (0.69) TDP1MAPTALOX5APPNPC1
SCHEMBL26023562 0.88 MAPT (0.68) TDP1MAPTALOX5NPC1RAB9A
SCHEMBL305162 0.88 MAPT (0.68) TDP1MAPTALOX5NPC1RAB9A
SCHEMBL9367557 0.87 TDP1 (0.92) TDP1MAPTALOX5APPNPC1
SCHEMBL16661854 0.86 F2RL1 (0.60) TDP1MAPTALOX5NPC1RAB9A
Ammonia Solution, Strong SCHEMBL11481573 0.85 TDP1 (0.89) TDP1MAPTALOX5APPNPC1
SCHEMBL15164358 0.85 MAPT (0.53) TDP1MAPTALOX5APPNPC1
SCHEMBL17230496 0.84 MAPT (0.56) TDP1MAPTALOX5NPC1RAB9A

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-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT TDP1 1049/4885MAPT 1644/4885ALOX5 180/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 TDP1 2793/4885MAPT 1111/4885ALOX5 905/4885

“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.