SCHEMBL4076220

SCHEMBL4076220

CCCCCCCC/C=C\CCCCCCC(CCO)C(=O)OCC(O)CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.64
▸ FAAH O00519 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SELP P16109 1/20 0.46
▸ LPAR1 Q92633 5/20 0.45
▸ ENPP2 Q13822 2/20 0.45
▸ LPAR4 Q99677 2/20 0.45
▸ LPAR5 Q9H1C0 2/20 0.45
▸ LPAR2 Q9HBW0 2/20 0.45
▸ LPAR3 Q9UBY5 2/20 0.45
▸ CES2 O00748 1/20 0.45
▸ LPAR6 P43657 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ PRKCE Q02156 1/20 0.45
▸ PRKCQ Q04759 1/20 0.45
▸ PRKCD Q05655 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
SCHEMBL2119141 0.89 DGKA (0.67) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL4640603 0.89 DGKA (0.67) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL8332208 0.89 DGKA (0.67) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL2118873 0.89 DGKA (0.67) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL8636691 0.89 DGKA (0.67) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL9173378 0.87 KDM4E (0.63) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL252664 0.87 KDM4E (0.63) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL21617316 0.87 KDM4E (0.63) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL21419884 0.87 KDM4E (0.63) DGKAFAAHKDM4EDUSP3MEN1
SCHEMBL14778640 0.87 KDM4E (0.63) DGKAFAAHKDM4EDUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314021-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 — — US disclosed
WO-2016020936-A2 A NOVEL ORAL GASTRORETENTIVE PHARMACEUTICAL DOSAGE FORM PATEL JAYENDRAKUMAR DASHARATHLAL (IN) 2016-02-11 — — WO disclosed
US-20140288167-A1 Formulations Containing Insect Repellent Compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 — — US disclosed
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 (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-20140288167-A1 Formulations Containing Insect Repellent Compounds CAT, HNMT, MME DGKA 2547/4885FAAH 360/4885KDM4E 2662/4885
US-20060223878-A1 Formulations containing insect repellent compounds CAT, HNMT, MME DGKA 2547/4885FAAH 360/4885KDM4E 2662/4885
US-20070264297-A1 Formulated tick and insect repellent compositions MME, FNTA, ACHE DGKA 2256/4885FAAH 172/4885KDM4E 1284/4885

“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.

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