SCHEMBL16909176

SCHEMBL16909176

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TRPV1 Q8NER1 5/20 0.52
▸ HDAC1 Q13547 5/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HDAC2 Q92769 2/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ MAOA P21397 1/20 0.46

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
Hydrochloric Acid SCHEMBL16909041 0.99 GAA (0.54) GAAHPGDTRPV1HDAC1L3MBTL1
SCHEMBL16909205 0.94 TRPV1 (0.50) GAAHPGDTRPV1HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL16909079 0.93 TRPV1 (0.49) GAAHPGDTRPV1HDAC1ALDH1A1
SCHEMBL16909141 0.92 TRPV1 (0.51) GAAHPGDTRPV1HDAC1ALDH1A1
SCHEMBL16909202 0.92 TRPV1 (0.51) GAAHPGDTRPV1HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL16909213 0.91 TRPV1 (0.50) GAAHPGDTRPV1HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL16909199 0.91 TRPV1 (0.50) GAAHPGDTRPV1HDAC1ALDH1A1
SCHEMBL16908977 0.90 MAPT (0.51) GAAHPGDTRPV1HDAC1ALDH1A1
SCHEMBL16909050 0.90 TRPV1 (0.54) GAAHPGDTRPV1HDAC1ALDH1A1
SCHEMBL18798870 0.90 TRPV1 (0.56) GAAHPGDTRPV1L3MBTL1

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

“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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