SCHEMBL20162232

SCHEMBL20162232

CCCCCC(=O)C(=Cc1cc(OCCCC)c(OCCCC)c(OCCCC)c1)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ THRA P10827 4/20 0.36
▸ THRB P10828 4/20 0.36
▸ CES2 O00748 6/20 0.35
▸ CES1 P23141 6/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TOP2A P11388 1/20 0.34

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
SCHEMBL20395699 1.00 MEN1 (0.38) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20395664 0.96 CYP3A4 (0.37) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20162235 0.96 CYP3A4 (0.37) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20395679 0.94 ALDH1A1 (0.39) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20395681 0.94 ALDH1A1 (0.39) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20162281 0.90 TOP2A (0.41) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20395689 0.90 TOP2A (0.41) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20162237 0.89 TDP1 (0.45) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20395700 0.87 GAA (0.38) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL20162251 0.87 GAA (0.38) MEN1ALDH1A1POLBKMT2ASMN1; SMN2

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 MEN1 3221/4885ALDH1A1 1313/4885POLB 370/4885

“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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