SCHEMBL4295285

SCHEMBL4295285

CCCCCCCC/C=C\CCCCCCCC(C=CCCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
TRPV1 Q8NER1 1/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 5/20 0.46
BLM P54132 4/20 0.46
GMNN O75496 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
GLA P06280 2/20 0.46
THRB P10828 2/20 0.46
CETP P11597 2/20 0.46
MAPK1 P28482 2/20 0.46
CXCR5 P32302 2/20 0.46
CCR6 P51684 2/20 0.46
UBE2N P61088 2/20 0.46
SPHK2 Q9NRA0 2/20 0.46

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
SCHEMBL11124750 1.00 FAAH (0.50) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL4298120 1.00 FAAH (0.50) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL20500716 0.98 MEN1 (0.50) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL28049385 0.94 MEN1 (0.47) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL28049415 0.94 MEN1 (0.47) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL28825728 0.94 MEN1 (0.47) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL808616 0.93 MEN1 (0.50) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL9062496 0.91 MEN1 (0.44) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL25132302 0.91 FAAH (0.68) FAAHTRPV1KMT2AMEN1CYP3A4
SCHEMBL31521534 0.89 MEN1 (0.47) FAAHTRPV1KMT2AMEN1CYP3A4

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
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
US-20070042030-A1 Preparation for the application of agents in mini-droplets IDEA AG (DE) 2007-02-22 US disclosed
US-6165500-A Preparation for the application of agents in mini-droplets IDEA AG (DE) 2000-12-26 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 (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-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 FAAH 4468/4885TRPV1 1287/4885KMT2A 3680/4885
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 FAAH 3983/4885TRPV1 828/4885KMT2A 4133/4885
US-20070042030-A1 Preparation for the application of agents in mini-droplets FABP4, NPC1L1, LIPA FAAH 1314/4885TRPV1 1520/4885KMT2A 4875/4885

“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.