SCHEMBL4067200

SCHEMBL4067200

C=CCCCCCCCCC(=O)OC(=O)CC(C(=O)OC(=O)CCCCCCCCC=C)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
CYP3A4 P08684 3/20 0.37
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 2/20 0.37
TSHR P16473 2/20 0.36
PTGS1 P23219 1/20 0.34
HPGD P15428 1/20 0.33
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
DGKA P23743 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28522994 0.99 ALDH1A1 (0.46) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL27706232 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL393940 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL27534701 0.82 DGKA (0.50) LMNAMAPTUSP2RECQLLPAR2
SCHEMBL5516336 0.81 ALDH1A1 (0.45) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL6270899 0.81 DGKA (0.49) LMNAMAPTUSP2RECQLLPAR2
SCHEMBL5275136 0.81 DGKA (0.49) LMNAMAPTUSP2RECQLLPAR2
SCHEMBL9157173 0.81 DGKA (0.47) ALDH1A1LMNAMAPTRECQLTSHR
SCHEMBL28399581 0.81 DGKA (0.47) ALDH1A1LMNAMAPTRECQLTSHR
Ammonia Solution, Strong SCHEMBL29037399 0.79 DGKA (0.46) ALDH1A1LMNAMAPTRECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404311-B1 WOUND TREATMENT AGENT PRONTOMED GMBH (DE) 2008-11-05 EP claimed
US-8771718-B2 Formulated tick and insect repellent compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070264297-A1 Formulated tick and insect repellent compositions MME, FNTA, ACHE ALDH1A1 3113/4885LMNA 1412/4885MAPT 447/4885

“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.