SCHEMBL20162259

SCHEMBL20162259

CCCC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TUBB1 Q9H4B7 6/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42

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
SCHEMBL20162262 1.00 GAA (0.50) GAATDP1MAPTHTTKDM4E
SCHEMBL20162250 0.91 HTR1A (0.48) GAATDP1MAPTHTTKDM4E
SCHEMBL20162249 0.91 HTR1A (0.48) GAATDP1MAPTHTTKDM4E
SCHEMBL9100974 0.85 GAA (0.67) GAATDP1MAPTHTTKDM4E
SCHEMBL20395701 0.82 TSHR (0.44) GAATDP1MAPTHTTKDM4E
SCHEMBL20162260 0.82 TSHR (0.44) GAATDP1MAPTHTTKDM4E
SCHEMBL20162251 0.81 GAA (0.38) GAATDP1MAPTHTTKDM4E
SCHEMBL20395700 0.81 GAA (0.38) GAATDP1MAPTHTTKDM4E
SCHEMBL9689450 0.80 GAA (0.57) GAATDP1MAPTHTTKDM4E
SCHEMBL10847801 0.80 GAA (0.57) GAATDP1MAPTHTTKDM4E

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 2 patents. 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
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 — — 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 (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 GAA 1205/4885TDP1 895/4885MAPT 1864/4885

“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.

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