SCHEMBL490738

SCHEMBL490738

COc1ccc(CCC(=O)OCCc2ccccc2)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.74
ALOX5 P09917 5/20 0.73
TDP1 Q9NUW8 1/20 0.59
TTR P02766 3/20 0.59
CYP19A1 P11511 1/20 0.54
GAA P10253 3/20 0.52
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 2/20 0.50
NFKB1 P19838 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL490945 0.90 ALOX5 (0.77) APPALOX5TDP1TTRGAA
SCHEMBL490871 0.90 ALOX5 (0.76) APPALOX5TDP1TTRKMT2A
SCHEMBL490480 0.85 APP (1.00) APPALOX5TDP1TTRGAA
SCHEMBL491005 0.84 ALOX5 (1.00) APPALOX5TDP1TTRGAA
SCHEMBL491225 0.82 CYP19A1 (0.60) APPALOX5CYP19A1GAACYP3A4
SCHEMBL27183351 0.82 TUBB4A (0.68) CYP19A1GAACYP3A4CYP1A2TSHR
SCHEMBL30834848 0.82 TUBB4A (0.68) CYP19A1GAACYP3A4CYP1A2TSHR
SCHEMBL491168 0.82 ALOX5 (0.81) APPALOX5TDP1GAAMAPT
SCHEMBL12300533 0.82 APP (0.78) APPALOX5CYP3A4CYP1A2CYP2C9
SCHEMBL491091 0.81 TTR (0.58) APPALOX5TTRGAACYP3A4

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 APP 1760/4885ALOX5 180/4885TDP1 1049/4885
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 APP 1846/4885ALOX5 905/4885TDP1 2793/4885

“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.