SCHEMBL491041

SCHEMBL491041

CCCCC(CC)C[C](CC(CC)CCCC)c1cc(OC)c(O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 6/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 5/20 0.39
BCL2L1 Q07817 1/20 0.38

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
SCHEMBL5751345 0.78 PKM (0.40) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL28405777 0.74 PDE4D (0.47) ALOX5PTGS2LTA4HTSHR
SCHEMBL31319550 0.72 ALDH1A1 (0.49) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL490492 0.71 ALDH1A1 (0.48) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL23530144 0.71 TDP1 (0.47) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL167005 0.70 ALDH1A1 (0.46) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL20395691 0.70 ALDH1A1 (0.46) ALDH1A1PKMKDM4EGAAKMT2A
SCHEMBL490494 0.69 CYP3A4 (0.57) ALDH1A1ALOX5CA2LMNALTA4H
SCHEMBL6846543 0.69 ABL1 (0.46) PKMGAAKMT2AALOX5LMNA
SCHEMBL17912850 0.69 ALDH1A1 (0.45) ALDH1A1KDM4EALOX5CA2LMNA

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 4 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

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 ALDH1A1 181/4885PKM 1176/4885KDM4E 3685/4885
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 ALDH1A1 314/4885PKM 1127/4885KDM4E 359/4885

“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.