SCHEMBL4556059

SCHEMBL4556059

CCCCCCCCCCCCCCCCCCCCCCCCOC([O])CCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
ZDHHC7 Q9NXF8 1/20 0.44
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
SMPD1 P17405 3/20 0.41
LPAR1 Q92633 4/20 0.41
LPAR3 Q9UBY5 4/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
GPR84 Q9NQS5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL7340113 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL4295210 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL7339574 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL10335706 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL4299442 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL4309898 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL2553275 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL15522266 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL2670678 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL11108585 1.00 DNM1 (0.48) DNM1ZDHHC7LCKPPARDZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120177698-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN CEVC GREGOR (DE) 2012-07-12 US disclosed
US-20090155235-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2009-06-18 US disclosed
US-7473432-B2 NSAID formulations, based on highly adaptable aggregates, for improved transport through barriers and topical drug delivery IDEA AG (DE) 2009-01-06 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-20120177698-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN CUTA, ABCG2, ABCB11 DNM1 4734/4885ZDHHC7 4866/4885LCK 2551/4885
US-20090155235-A1 AGGREGATES WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN CUTA, ABCG2, PIGS DNM1 4871/4885ZDHHC7 4825/4885LCK 2583/4885

“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.