SCHEMBL4245473

SCHEMBL4245473

CCCCCCCCCCCC(=O)OCCN(CC)CC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.72
DGKA P23743 1/20 0.69
PAM P19021 2/20 0.53
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 1/20 0.49
NAAA Q02083 1/20 0.48
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL8398314 1.00 DNM1 (0.72) DNM1DGKAPAMTSHRMAPT
SCHEMBL8394729 1.00 DNM1 (0.72) DNM1DGKAPAMTSHRMAPT
SCHEMBL432806 1.00 DNM1 (0.72) DNM1DGKAPAMTSHRMAPT
Hydrochloric Acid SCHEMBL10779130 0.98 DNM1 (0.70) DNM1DGKAPAMTSHRMAPT
Ammonia Solution, Strong SCHEMBL8609433 0.98 DNM1 (0.70) DNM1DGKAPAMTSHRMAPT
Hydrochloric Acid SCHEMBL10784814 0.98 DNM1 (0.70) DNM1DGKAPAMTSHRMAPT
SCHEMBL7940412 0.98 DNM1 (0.69) DNM1DGKAPAMTSHRMAPT
SCHEMBL5179680 0.95 DNM1 (0.66) DNM1DGKAPAMTSHRMAPT
SCHEMBL5179838 0.95 DNM1 (0.66) DNM1DGKAPAMTSHRMAPT
SCHEMBL17401271 0.93 DNM1 (0.77) DNM1DGKAPAMTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771718-B2 Formulated tick and insect repellent compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-08 US disclosed
US-8748477-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-10 US disclosed
EP-2040555-A2 FORMULATED TICK AND INSECT REPELLENT COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-01 EP disclosed
WO-2007133683-A2 FORMULATED TICK AND INSECT REPELLENT COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-22 WO disclosed
US-20070264297-A1 Formulated tick and insect repellent compositions 1,4Group, Inc. 2007-11-15 US disclosed
EP-1806969-A1 INSECT REPELLENT COMPOSITIONS COMPRISING DIHYDRONEPETALACTONE, AN ALCOHOL, AND AN ESTER E.I.Du pont de nemours and company (US) 2007-07-18 EP disclosed
US-20060223878-A1 Formulations containing insect repellent compounds 1,4Group, Inc. 2006-10-05 US disclosed
WO-2006050519-A1 INSECT REPELLENT COMPOSITIONS COMPRISING DIHYDRONEPETALACTONE, AN ALCOHOL, AND AN ESTER E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-11 WO disclosed
US-5858472-A Method of improving the electrical conductivity of a molding article of resin, method of coating a molding article of resin, and coating composition NIPPON PAINT CO., LTD. (JP) 1999-01-12 US disclosed
EP-0764663-A2 Method of improving the electrical conductivity of a molding artcile of resin, method of coating a molding article of resin, and coating composition NIPPON PAINT CO., LTD. (JP) 1997-03-26 EP disclosed
US-5368972-A Method of preparing composite particles comprising adhering wax particles to the surface of resin particles RICOH COMPANY, LTD. (JP) 1994-11-29 US disclosed
US-4943506-A ELECTROGRAPHY, BINDER, SILICONE OIL PRETREATMENT MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1990-07-24 US disclosed
US-4491583-A HETEROCYCLIC UREA COMPOUNDS PFIZER INC. (US) 1985-01-01 US disclosed
US-4258061-A TO COMBAT VIRAL DISEASE PFIZER INC. (US) 1981-03-24 US disclosed
US-4087552-A ANTIVIRAL PFIZER INC. (US) 1978-05-02 US disclosed
US-4034040-A Xylene-diamines as antiviral agents PFIZER INC. (US) 1977-07-05 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 (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-20060223878-A1 Formulations containing insect repellent compounds CAT, HNMT, MME DNM1 2020/4885DGKA 2547/4885PAM 3993/4885
US-20070264297-A1 Formulated tick and insect repellent compositions MME, FNTA, ACHE DNM1 1117/4885DGKA 2256/4885PAM 1877/4885

“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.