SCHEMBL13991921

SCHEMBL13991921

C=CCOC(=O)CCCNC(=O)C(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ EPHX2 P34913 3/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ GAA P10253 1/20 0.42
▸ PLA2G4A P47712 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL23031134 0.83 TSHR (0.53) TSHREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL13991878 0.82 CYP1A2 (0.48) EPHX2ALDH1A1GAAPLA2G4ASMN1; SMN2
SCHEMBL13286569 0.79 TSHR (0.52) TSHREPHX2ALDH1A1PLA2G4ASMN1; SMN2
SCHEMBL13991911 0.78 ALDH1A1 (0.51) EPHX2ALDH1A1GAAPLA2G4APLA2G2A
SCHEMBL12629241 0.77 TSHR (0.61) TSHREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL13991879 0.76 LMNA (0.51) TSHREPHX2ALDH1A1PLA2G4ALMNA
SCHEMBL7872488 0.76 TSHR (0.51) TSHREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL437266 0.75 TSHR (0.85) TSHREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL463195 0.74 TSHR (0.70) TSHREPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL153651 0.74 TSHR (0.77) TSHREPHX2ALDH1A1GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-12-25 — — 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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release PLA2G4A, PLA2G4B, PLA2G2A TSHR 4228/4885EPHX2 140/4885ALDH1A1 3131/4885

“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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