SCHEMBL491091

SCHEMBL491091

COc1ccc(CC(C(=O)OCCc2ccccc2)C(=O)OCCc2ccccc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.58
ALOX15 P16050 2/20 0.53
GAA P10253 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
ALOX12 P18054 1/20 0.52
ALOX5 P09917 3/20 0.52
LDHA P00338 1/20 0.51
TUBB1 Q9H4B7 2/20 0.50
APP P05067 1/20 0.48
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46

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
SCHEMBL490626 0.90 TTR (0.58) TTRGAACYP3A4TSHRALOX5
SCHEMBL490927 0.90 LDHA (0.65) TTRALOX5LDHAL3MBTL1
SCHEMBL490604 0.85 APP (0.64) TTRALOX15CYP3A4TSHRKDM4E
SCHEMBL490146 0.82 ALOX5 (0.54) TTRALOX5LDHAAKR1B10AKR1B1
SCHEMBL490506 0.81 ALOX15 (0.60) ALOX15GAACYP3A4TSHRKDM4E
SCHEMBL490072 0.81 L3MBTL1 (0.62) TTRALOX15CYP3A4TSHRKDM4E
SCHEMBL6378609 0.81 ALOX15 (0.64) ALOX15GAACYP3A4TSHRKDM4E
SCHEMBL490738 0.81 APP (0.74) TTRALOX15GAACYP3A4TSHR
SCHEMBL490932 0.81 LDHA (0.76) TTRALOX15GAACYP3A4TSHR
SCHEMBL490539 0.80 LDHA (0.62) GAARAB9AALOX5LDHAPPARG

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
EP-2238964-A2 Stabilised cosmetic compounds Henkel AG & Co. KGaA (DE) 2010-10-13 EP claimed
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
EP-2238964-A2 Stabilised cosmetic compounds Henkel AG & Co. KGaA (DE) 2010-10-13 EP 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
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO 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 TTR 423/4885ALOX15 156/4885GAA 940/4885
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 TTR 3973/4885ALOX15 1546/4885GAA 309/4885

“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.