SCHEMBL4245469

SCHEMBL4245469

CCCCCCCCCCCC(=O)OC(C)N(CC)CC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
MAPT P10636 3/20 0.56
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 1/20 0.53
PRKCA P17252 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCD Q05655 1/20 0.49
DGKA P23743 1/20 0.48
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
HSP90AA1 P07900 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL31206538 1.00 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL432805 1.00 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL29054151 1.00 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL29029247 1.00 LMNA (0.65) LMNAMAPTMAPK1ALDH1A1PRKCA
Ammonia Solution, Strong SCHEMBL8609427 0.98 LMNA (0.62) LMNAMAPTMAPK1ALDH1A1PRKCA
Hydrochloric Acid SCHEMBL11126202 0.98 LMNA (0.62) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL7940409 0.98 LMNA (0.61) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL358238 0.93 LMNA (0.52) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL29029255 0.91 PRKCA (0.56) LMNAMAPTALDH1A1PRKCAPRKCE
SCHEMBL11719790 0.88 LMNA (0.62) LMNAMAPTMAPK1ALDH1A1PRKCA

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 8 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

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 LMNA 3157/4885MAPT 47/4885MAPK1 4288/4885
US-20070264297-A1 Formulated tick and insect repellent compositions MME, FNTA, ACHE LMNA 1412/4885MAPT 447/4885MAPK1 4322/4885

“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.