SCHEMBL490875

SCHEMBL490875

COC(=O)C(C)c1ccc(O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 1/20 0.56
MT-CO2 P00403 1/20 0.55
SLC22A3 O75751 1/20 0.54
FOLH1 Q04609 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.51
GAA P10253 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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
SCHEMBL31409463 0.86 CYP2C19 (0.54) NPSR1MT-CO2
SCHEMBL11187050 0.86 TSHR (0.63) TSHRBLMNPSR1SLC22A3CYP3A4
SCHEMBL31409467 0.86 CYP2C19 (0.54) NPSR1MT-CO2
SCHEMBL31083332 0.86 CYP2C19 (0.54) NPSR1MT-CO2
SCHEMBL5022505 0.86 CYP2C19 (0.54) NPSR1MT-CO2
SCHEMBL490843 0.86 HSD17B2 (0.57) TSHRBLMNPSR1SLC22A3CYP3A4
SCHEMBL5702711 0.85 TSHR (0.61) TSHRBLMNPSR1SLC22A3CYP3A4
SCHEMBL490839 0.85 TSHR (0.71) TSHRBLMNPSR1FOLH1CYP3A4
SCHEMBL30127939 0.85 TSHR (0.71) TSHRBLMNPSR1FOLH1CYP3A4
SCHEMBL490924 0.84 PKM (0.48) TSHRBLMNPSR1LMNAMT-CO2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
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 TSHR 4679/4885BLM 1037/4885NPSR1 2684/4885
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 TSHR 4810/4885BLM 2115/4885NPSR1 3626/4885

“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.