SCHEMBL16909102

SCHEMBL16909102

O=C(O)NCCC(=O)ONC(=O)Cc1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.55
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL18798809 0.90 TRPV1 (0.56) TRPV1GAAHPGDL3MBTL1HDAC1
SCHEMBL18798870 0.90 TRPV1 (0.56) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL18798901 0.88 TRPV1 (0.53) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL18798874 0.87 TRPV1 (0.51) TRPV1GAAHPGDL3MBTL1HDAC1
SCHEMBL18798805 0.87 TRPV1 (0.52) TRPV1GAAHPGDL3MBTL1HDAC1
SCHEMBL16909176 0.87 GAA (0.55) TRPV1GAAHPGDL3MBTL1HDAC1
SCHEMBL16909235 0.86 TRPV1 (0.51) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16909197 0.86 TRPV1 (0.48) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16909201 0.86 TRPV1 (0.48) TRPV1GAAHPGDL3MBTL1LMNA
SCHEMBL16909147 0.86 CTSL (0.49) TRPV1GAAHPGD

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-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 — — US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 — — 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-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs HDAC5, HDAC1, HDAC3 TRPV1 2926/4885GAA 381/4885HPGD 585/4885

“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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