SCHEMBL490647

SCHEMBL490647

CCOC(=O)C(Cc1cc(OC)c(OC)cc1OC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
LDHA P00338 1/20 0.41

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
SCHEMBL490665 0.82 LDHA (0.59) HTR2ACYP3A4TAAR1LDHA
SCHEMBL6600354 0.82 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL490808 0.81 HSD17B10 (0.55) ALDH1A1TSHRHTR2ASMN1; SMN2TAAR1
SCHEMBL491054 0.81 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2
SCHEMBL10320769 0.81 NPC1 (0.52) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1186888 0.80 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL490522 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHTR2ACYP3A4CA2
SCHEMBL2673221 0.79 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL7823025 0.78 LDHA (0.58) TSHRHTR2ACYP3A4TAAR1LDHA
SCHEMBL491026 0.78 LDHA (0.71) ALDH1A1SMN1; SMN2CA1CA2CA9

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
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN 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
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
US-4376777-A Thiazolidine derivatives use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-15 US disclosed
EP-0032128-A1 Thiazolidine derivatives and their production and use Takeda Chemical Industries, Ltd. (JP) 1981-07-15 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 ALDH1A1 181/4885TSHR 4679/4885HTR2A 4534/4885
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 314/4885TSHR 4810/4885HTR2A 1557/4885

“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.