SCHEMBL667189

SCHEMBL667189

CCC[CH]OC(=O)CCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.42
DGKA P23743 1/20 0.42
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
PAM P19021 2/20 0.38
CA1 P00915 1/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
THRB P10828 1/20 0.37
FAAH O00519 1/20 0.37
HPGD P15428 1/20 0.37
MIF P14174 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL6437699 0.94 DGKA (0.50) CES1CES2DGKATSHRLMNA
SCHEMBL4890997 0.92 DGKA (0.53) CES1CES2DGKATSHRLMNA
SCHEMBL7293172 0.91 CES1 (0.42) CES1CES2DGKATSHRLMNA
SCHEMBL9045302 0.89 DGKA (0.45) DGKATSHRLMNAALDH1A1TP53
SCHEMBL129557 0.86 ALDH1A1 (0.50) CES1CES2DGKATSHRLMNA
SCHEMBL451226 0.84 CES1 (0.44) CES1CES2DGKATSHRLMNA
SCHEMBL17440355 0.83 DGKA (0.53) DGKATSHRLMNATP53MAPT
SCHEMBL11266899 0.83 DGKA (0.53) DGKATSHRLMNATP53MAPT
SCHEMBL21956085 0.83 DGKA (0.53) DGKATSHRLMNATP53MAPT
SCHEMBL10889536 0.83 DGKA (0.53) DGKATSHRLMNATP53MAPT

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 27 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-5891918-A Method for controlling resistant fungi ROHM AND HAAS COMPANY (US) 1999-04-06 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0815727-A1 Method for controlling resistant fungi ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
EP-0604019-B1 N-Acetonylbenzamides and their use as fungicides ROHM & HAAS (US) 1996-05-08 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
EP-0604019-A1 N-Acetonylbenzamides and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-06-29 EP disclosed
US-5254584-A Controlling phytopathogens ROHM AND HAAS COMPANY (US) 1993-10-19 US 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 CES1 990/4885CES2 2228/4885DGKA 3626/4885
US-20120046331-A1 Antifungal Agents and Uses Thereof PRKDC, PIK3C3, KRT18 CES1 2657/4885CES2 3258/4885DGKA 1272/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 CES1 250/4885CES2 587/4885DGKA 2896/4885

“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.