SCHEMBL20395656

SCHEMBL20395656

CCCOc1cc(CC(C(=O)OC(C)C)C(=O)OC(C)C)cc(OCCC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 3/20 0.33
PPARG P37231 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LDHA P00338 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA9 Q16790 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL20162240 0.89 CYP2D6 (0.39) SMN1; SMN2ALDH1A1ALOX15KDM4EGAA
SCHEMBL20162255 0.86 PPARG (0.44) SMN1; SMN2ALOX5ALDH1A1PPARGKDM4E
SCHEMBL20162275 0.85 FOS (0.43) SMN1; SMN2ALOX15KDM4ELDHACYP3A4
SCHEMBL20162267 0.82 LDHA (0.46) ALOX5ALDH1A1KDM4EGAALDHA
SCHEMBL20162233 0.77 LMNA (0.54) ALDH1A1PPARGPPARDPPARA
SCHEMBL20395674 0.76 ALDH1A1 (0.44) SMN1; SMN2ALOX5ALDH1A1PPARGHSD17B10
SCHEMBL20162271 0.74 FOS (0.46) ALDH1A1ALOX15KDM4EGAAHSD17B10
SCHEMBL20162248 0.74 PPARG (0.43) ALDH1A1PPARGKDM4ELDHAMAPT
SCHEMBL29200149 0.71 PTGS2 (0.42) ALOX5ALDH1A1KDM4EGAAHSD17B10
SCHEMBL20162253 0.71 PPARG (0.47) SMN1; SMN2ALOX5ALOX15PPARGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 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 (1 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 SMN1; SMN2 1302/4885ALOX5 573/4885ALDH1A1 1313/4885

“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.