SCHEMBL5189017

SCHEMBL5189017

CC(C)CCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FOLH1 Q04609 4/20 0.44
BLM P54132 1/20 0.44
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
CPB2 Q96IY4 3/20 0.41
SLC1A2 P43004 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
SCHEMBL9954501 1.00 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19409200 0.96 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL158479 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2896870 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1434851 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2212069 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1035498 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2211471 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19118487 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8880115 0.91 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-9314021-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-20140288167-A1 Formulations Containing Insect Repellent Compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 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-2654665-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA Pharma Gesellschaft für die Entwicklung und Vermarktung pharmazeutischer Produkte mbH (DE) 2013-10-30 EP disclosed
WO-2012083906-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA PHARMA GESELLSCHAFT FÜR DIE ENTWICKLUNG UND VERMARKTUNG PHARMAZEUTISCHER PRODUKTE MBH (DE) 2012-06-28 WO 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-20140288167-A1 Formulations Containing Insect Repellent Compounds CAT, HNMT, MME CHRM1 2399/4885AKR1A1 2473/4885CHRM3 2107/4885
US-20060223878-A1 Formulations containing insect repellent compounds CAT, HNMT, MME CHRM1 2399/4885AKR1A1 2473/4885CHRM3 2107/4885

“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.