SCHEMBL22374858

SCHEMBL22374858

CC(C)CCOCCOCC(=O)N1CCN(CCNC(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ POLB P06746 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ BDKRB1 P46663 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ FPR3 P25089 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL22374866 0.87 TDP1 (0.37) ALDH1A1POLBSMN1; SMN2BDKRB1CYP2C19
SCHEMBL22374861 0.78 BDKRB1 (0.35) ALDH1A1POLBSMN1; SMN2BDKRB1CYP2C19
SCHEMBL26445138 0.77 L3MBTL1 (0.45) ALDH1A1POLBBDKRB1TDP1L3MBTL1
SCHEMBL26445170 0.77 L3MBTL1 (0.45) ALDH1A1POLBBDKRB1TDP1L3MBTL1
SCHEMBL23729306 0.72 HTR7 (0.39) ALDH1A1SMN1; SMN2TP53CYP2C19TSHR
SCHEMBL4569286 0.72 PIK3CD (0.55) ALDH1A1SMN1; SMN2TP53CYP2C19TDP1
SCHEMBL24674880 0.71 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2CYP2C19TDP1
SCHEMBL24712849 0.71 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2TP53CYP2C19
SCHEMBL22374865 0.69 PIK3CD (0.49) ALDH1A1POLBCYP2C19L3MBTL1TSHR
SCHEMBL29299601 0.69 HTR7 (0.41) ALDH1A1SMN1; SMN2TP53TDP1L3MBTL1

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 ALDH1A1 3756/4885POLB 2253/4885SMN1; SMN2 1455/4885

“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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