SCHEMBL667190

SCHEMBL667190

[CH2]CCCOC(=O)CCCC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
NAAA Q02083 1/20 0.50
DNM1 Q05193 1/20 0.50
HTR2C P28335 1/20 0.49
TSHR P16473 2/20 0.47
PAM P19021 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.44
MGLL Q99685 1/20 0.44
MAPT P10636 2/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.42
ATM Q13315 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL6437701 0.94 DGKA (0.70) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7282921 0.94 DGKA (0.59) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL5256636 0.94 DGKA (0.59) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7838818 0.92 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7837625 0.92 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7828305 0.92 DGKA (0.74) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7838151 0.92 DGKA (0.74) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7838591 0.92 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7757774 0.92 DGKA (0.74) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7829238 0.92 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8759400-B2 Histone deacetylase inhibitors for enhancing activity of antifungal agents METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2605770-A1 ANTIFUNGAL AGENTS AND USES THEREOF MethylGene Inc. (CA) 2013-06-26 EP disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
WO-2012021982-A1 ANTIFUNGAL AGENTS AND USES THEREOF METHYLGENE INC. (CA) 2012-02-23 WO disclosed
US-20120046331-A1 Antifungal Agents and Uses Thereof METHYLGENE INC. (CA) 2012-02-23 US disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 EP disclosed
EP-1963258-A2 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS Methylgene, Inc. (CA) 2008-09-03 EP disclosed
US-5278337-A Enantiomeric resolution of aryl-substituted aliphatic carboxylic acids ETHYL CORPORATION (US) 1994-01-11 US disclosed
US-5260482-A Enantiomeric resolution ETHYL CORPORATION (US) 1993-11-09 US disclosed
US-5256816-A Enantiomeric resolution ETHYL CORPORATION (US) 1993-10-26 US disclosed
US-5254584-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1993-10-19 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
US-5248813-A Enantiomeric resolution ETHYL CORPORATION (US) 1993-09-28 US disclosed
US-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
US-4443435-A ANTICARCINOGENS, HYPOTENSIVE AGENTS, HYPERTHYROIDISM MERCK & CO., INC. (US) 1984-04-17 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 (3 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents HDAC1, HDAC5, HDAC7 DGKA 3626/4885PRSS1 1053/4885PRSS2 1515/4885
US-20120046331-A1 Antifungal Agents and Uses Thereof PRKDC, PIK3C3, KRT18 DGKA 1272/4885PRSS1 1258/4885PRSS2 1394/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 DGKA 2896/4885PRSS1 870/4885PRSS2 1699/4885

“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.