SCHEMBL491008

SCHEMBL491008

CCCCC(CC)COC(=O)C(Cc1ccc(OC)c(O)c1)C(=O)OCC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 4/20 0.46
CA2 P00918 1/20 0.46
TUBB1 Q9H4B7 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL490869 0.91 LMNA (0.48) LMNACYP3A4ALDH1A1CA2TRPV1
SCHEMBL490714 0.91 LDHA (0.56) LMNAALOX15CYP3A4ALDH1A1CA2
SCHEMBL490788 0.88 LMNA (0.52) LMNAALOX15ALOX12CYP3A4ALDH1A1
SCHEMBL167005 0.85 ALDH1A1 (0.46) LMNACYP3A4ALDH1A1CA2MAPK1
SCHEMBL20395691 0.85 ALDH1A1 (0.46) LMNACYP3A4ALDH1A1CA2MAPK1
SCHEMBL20395524 0.83 LMNA (0.47) LMNACYP3A4ALDH1A1CA2MAPK1
SCHEMBL490573 0.83 CYP3A4 (0.57) LMNACYP3A4ALDH1A1CA2TUBB1
SCHEMBL490976 0.83 LMNA (0.51) LMNACYP3A4ALDH1A1CA2MAPK1
SCHEMBL490710 0.82 ALDH1A1 (0.46) LMNACYP3A4ALDH1A1CA2MAPK1
SCHEMBL20395694 0.82 LMNA (0.46) LMNACYP3A4ALDH1A1CA2MAPK1

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 10 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-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

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 LMNA 1949/4885ALOX15 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 LMNA 565/4885ALOX15 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.