SCHEMBL490483

SCHEMBL490483

CCOC(=O)C(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL24094540 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL3918115 0.83 L3MBTL1 (0.55) ALDH1A1L3MBTL1TDP1MAPK1TSHR
1,3,5-Trimethoxybenzene SCHEMBL27728377 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL490908 0.82 TDP1 (0.50) L3MBTL1TDP1TSHRCYP3A4KMT2A
SCHEMBL7219204 0.80 TSHR (0.37) SMN1; SMN2ALDH1A1TDP1TSHRHPGD
SCHEMBL27909593 0.79 TSHR (0.39) SMN1; SMN2ALDH1A1TSHRHPGDKMT2A
SCHEMBL490307 0.79 PKM (0.48) ALDH1A1CYP3A4KMT2APOLBKDM4E
SCHEMBL491076 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1HPGDKMT2A
SCHEMBL490670 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL506523 0.79 TDP1 (0.71) L3MBTL1TDP1TSHRPTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530361-A A kind of synthesis technology of 5- [2- (3,5- Dimethoxyphenyls) ethyl] -1H- pyrazoles -3- amine 重庆医药高等专科学校 2018-09-14 CN claimed
CN-108530361-A A kind of synthesis technology of 5- [2- (3,5- Dimethoxyphenyls) ethyl] -1H- pyrazoles -3- amine 重庆医药高等专科学校 2018-09-14 CN disclosed
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
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN 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
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 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 SMN1; SMN2 1624/4885ALDH1A1 181/4885L3MBTL1 4336/4885
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 SMN1; SMN2 4479/4885ALDH1A1 314/4885L3MBTL1 3978/4885

“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.