SCHEMBL490944

SCHEMBL490944

COc1cc(C(C)C(=O)OCCc2ccccc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
ALOX5 P09917 5/20 0.55
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MET P08581 2/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 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
SCHEMBL490737 0.90 TTR (0.58) TTRALOX5TSHRGAAAKR1B10
SCHEMBL491003 0.90 ALOX5 (0.64) TTRALOX5METAKR1B10AKR1B1
SCHEMBL490870 0.90 TTR (0.56) TTRALOX5NPSR1AKR1B10AKR1B1
SCHEMBL490477 0.87 APP (0.56) TTRALOX5BLMTSHRAKR1B10
SCHEMBL491167 0.85 ALOX5 (0.51) TTRALOX5AKR1B10AKR1B1
SCHEMBL490533 0.80 NPC1 (0.52) TSHRGAA
SCHEMBL490698 0.80 L3MBTL1 (0.61) TTRALOX5BLMTSHRAKR1B10
SCHEMBL490626 0.80 TTR (0.58) TTRALOX5TSHRPOLBGAA
SCHEMBL490843 0.80 HSD17B2 (0.57) BLMNPSR1TSHRGAA
SCHEMBL8066953 0.79 HCAR2 (0.50) TSHRAKR1B10AKR1B1

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 TTR 423/4885ALOX5 180/4885BLM 1037/4885
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 3973/4885ALOX5 905/4885BLM 2115/4885

“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.