SCHEMBL490932

SCHEMBL490932

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.76
ALOX15 P16050 3/20 0.68
ALOX12 P18054 2/20 0.68
GAA P10253 2/20 0.66
TUBB1 Q9H4B7 4/20 0.58
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57
TUBB3 Q13509 3/20 0.57
TUBB2A Q13885 3/20 0.57
TUBB8 Q3ZCM7 3/20 0.57
TUBA3E Q6PEY2 3/20 0.57
TUBA1A Q71U36 3/20 0.57
TUBA1C Q9BQE3 3/20 0.57
TUBB6 Q9BUF5 3/20 0.57
TUBB2B Q9BVA1 3/20 0.57
CYP3A4 P08684 2/20 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
SCHEMBL6378609 0.87 ALOX15 (0.64) LDHAALOX15ALOX12GAATUBB1
SCHEMBL17963708 0.87 KDM6B (0.66) LDHAALOX15ALOX12GAATUBB1
SCHEMBL30912683 0.87 KDM6B (0.66) LDHAALOX15ALOX12GAATUBB1
SCHEMBL491190 0.87 LDHA (0.76) LDHAALOX15ALOX12GAACYP3A4
SCHEMBL490731 0.86 LDHA (1.00) LDHAALOX15ALOX12GAALMNA
SCHEMBL23761314 0.86 ALOX15 (0.62) LDHAALOX15ALOX12GAATUBB1
SCHEMBL865455 0.86 SLC7A5 (0.67) LDHAALOX15ALOX12GAATUBB1
SCHEMBL8009087 0.86 SLC7A5 (0.67) LDHAALOX15ALOX12GAATUBB1
SCHEMBL865456 0.86 SLC7A5 (0.67) LDHAALOX15ALOX12GAATUBB1
SCHEMBL490506 0.84 ALOX15 (0.60) LDHAALOX15ALOX12GAATUBB1

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
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
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT LDHA 612/4885ALOX15 156/4885ALOX12 140/4885
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 LDHA 843/4885ALOX15 1546/4885ALOX12 1448/4885

“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.