SCHEMBL5078244

SCHEMBL5078244

CCCCCCCCCCCCN(CCC(=O)OCCCC)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
DNM1 Q05193 1/20 0.53
NAAA Q02083 1/20 0.49
HTR2C P28335 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 2/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
KDM5A P29375 1/20 0.41
TSHR P16473 2/20 0.41
PAM P19021 2/20 0.41

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
SCHEMBL5078873 0.93 DNM1 (0.47) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL5078874 0.89 DNM1 (0.46) DGKADNM1ALDH1A1LMNAKDM5A
SCHEMBL22461121 0.89 DNM1 (0.46) DGKADNM1ALDH1A1LMNAKDM5A
SCHEMBL13746329 0.84 MGLL (0.47) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL4450514 0.84 DGKA (0.54) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL27425959 0.83 DNM1 (0.43) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL27425957 0.83 DNM1 (0.43) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL27425962 0.83 DNM1 (0.43) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL27425953 0.83 DNM1 (0.43) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL27425964 0.83 DNM1 (0.43) DGKADNM1NAAAHTR2CPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319015-A1 Insect Repellent Mixture MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US claimed
EP-1965639-A1 INSECT REPELLENT MIXTURE Merck Patent GmbH (DE) 2008-09-10 EP claimed
WO-2007079822-A1 INSECT REPELLENT MIXTURE MERCK PATENT GMBH (DE) 2007-07-19 WO claimed
US-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US claimed
US-20080319015-A1 Insect Repellent Mixture MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
EP-1965639-A1 INSECT REPELLENT MIXTURE Merck Patent GmbH (DE) 2008-09-10 EP disclosed
WO-2007079822-A1 INSECT REPELLENT MIXTURE MERCK PATENT GMBH (DE) 2007-07-19 WO disclosed
US-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US disclosed
EP-1725520-A2 FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLIGICAL PREPARATIONS MERCK PATENT GmbH (DE) 2006-11-29 EP disclosed
WO-2005074897-A2 FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLOGICAL PREPARATIONS MERCK PATENT GMBH (DE) 2005-08-18 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 (2 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-20070141014-A1 Formulation assistants C1S, C1R, AKR1C3 DGKA 4087/4885DNM1 4383/4885NAAA 2448/4885
US-20080319015-A1 Insect Repellent Mixture DDT, BCHE, DNPH1 DGKA 774/4885DNM1 2823/4885NAAA 98/4885

“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.