SCHEMBL9969983

SCHEMBL9969983

CC(=O)CCCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.46
ALDH1A1 P00352 1/20 0.43
ACHE P22303 1/20 0.41
FAAH O00519 8/20 0.38
CES1 P23141 5/20 0.37
CES2 O00748 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36

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
SCHEMBL13614238 0.98 PAOX (0.50) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL13656100 0.98 PAOX (0.50) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL5172758 0.98 PAOX (0.50) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL379594 0.98 PAOX (0.50) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL8763791 0.98 PAOX (0.50) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL13656097 0.98 PAOX (0.50) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL9935032 0.92 ALDH1A1 (0.45) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL6647762 0.81
SCHEMBL26971258 0.81 PAOX (0.43) PAOXALDH1A1ACHEFAAHCES1
SCHEMBL12982210 0.79 LPAR1 (0.32) FAAHCES1CES2MEN1CYP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014179144-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-11-06 WO disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
US-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 WO disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 WO disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-4297516-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-4254036-A 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4228298-A 15-Deoxy-16-hydroxy-16-fluoromethyl, difluoromethyl or trifluoromethyl prostaglandins of the E and F series AMERICAN CYANAMID COMPANY (US) 1980-10-14 US disclosed
EP-0015056-A1 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series AMERICAN CYANAMID COMPANY (US) 1980-09-03 EP 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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 PAOX 232/4885ALDH1A1 1346/4885ACHE 1450/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 PAOX 191/4885ALDH1A1 749/4885ACHE 605/4885
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH PAOX 111/4885ALDH1A1 418/4885ACHE 417/4885

“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.