SCHEMBL6728610

SCHEMBL6728610

CCCCOC(=O)CCCCCCO

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.70
DNM1 Q05193 1/20 0.58
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NAAA Q02083 1/20 0.53
PAM P19021 2/20 0.53
ACHE P22303 6/20 0.51
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
HTR2C P28335 1/20 0.51
TSHR P16473 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
SCHEMBL3503231 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL3505591 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL820326 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8847123 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL19709434 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL3503023 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL29288177 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL1683937 1.00 DGKA (0.70) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL12742199 0.98 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL12742182 0.98 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1052901-B1 STORAGE STABLE AQUEOUS FORMULATIONS BASED ON N-PHENYL-3,4,5,6-TETRAHYDROPHTHALIMIDE HERBICIDES BASF AG (DE) 2002-09-04 EP disclosed
EP-0891336-B1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AG (DE) 2002-06-05 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
US-6313070-B1 MIXTURE OF ANIONIC AND NONIONIC SURFACTANTS, THIXOTROPIC ADDITIVE, WATER, OTHER HERBICIDES, OTHER AUXILIARIES BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 DGKA 3924/4885DNM1 1396/4885PRSS1 4120/4885

“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.