SCHEMBL16908977

SCHEMBL16908977

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TRPV1 Q8NER1 3/20 0.51
▸ HDAC1 Q13547 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL16909176 0.90 GAA (0.55) TRPV1HDAC1GAAHPGDHDAC3
Hydrochloric Acid SCHEMBL16909041 0.89 GAA (0.54) TRPV1HDAC1GAAHPGDHDAC3
SCHEMBL16909222 0.88 TRPV1 (0.50) TRPV1HDAC1GAAHPGDHDAC2
SCHEMBL16909205 0.88 TRPV1 (0.50) TRPV1HDAC1GAAHPGDHDAC3
SCHEMBL8242439 0.87 TRPV1 (0.55) TRPV1HDAC1GAAHPGDHDAC2
Hydrochloric Acid SCHEMBL16909079 0.86 TRPV1 (0.49) TRPV1HDAC1GAAHPGDHDAC3
SCHEMBL16909096 0.86 ALDH1A1 (0.50) TRPV1HDAC1GAAHPGDHDAC3
SCHEMBL16921319 0.86 TRPV1 (0.46) TRPV1HDAC1GAAHPGDHDAC8
SCHEMBL16909050 0.86 TRPV1 (0.54) TRPV1HDAC1GAAHPGDHDAC2
SCHEMBL16909102 0.85 TRPV1 (0.55) TRPV1HDAC1GAAHPGDLMNA

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 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-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
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 MAPT 1283/4885RXFP1 3517/4885TRPV1 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.

Send feedback