SCHEMBL1892709

SCHEMBL1892709

CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TLR2 O60603 2/20 0.54
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
ALOX5 P09917 1/20 0.51
LPAR1 Q92633 6/20 0.49
MGLL Q99685 1/20 0.49
PRKCA P17252 1/20 0.49
PRKCE Q02156 1/20 0.49
PRKCQ Q04759 1/20 0.49
PRKCD Q05655 1/20 0.49
FAAH O00519 2/20 0.48

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
SCHEMBL3784212 1.00 ALDH1A1 (0.56) ALDH1A1LMNATLR2ADRB2ADRB1
Glycerol Phenylbutyrate SCHEMBL10102804 0.93 ADRB2 (0.56) ALDH1A1LMNATLR2ADRB2ADRB1
SCHEMBL27665720 0.90 ALDH1A1 (0.69) ALDH1A1LMNATLR2LPAR1MGLL
SCHEMBL13901108 0.87 ALDH1A1 (0.54) ALDH1A1LMNATLR2LPAR1PRKCA
SCHEMBL15061844 0.86 MGLL (0.61) TLR2ADRB2ADRB1ADRB3ALOX5
SCHEMBL406382 0.84 ALOX5 (0.59) LMNAADRB2ADRB1ADRB3ALOX5
SCHEMBL18618733 0.84 ALDH1A1 (0.52) ALDH1A1LMNATLR2LPAR1PRKCA
SCHEMBL18227895 0.83 NR1I2 (0.52) ALDH1A1TLR2ADRB2ADRB1ADRB3
SCHEMBL18174526 0.83 NR1I2 (0.52) ALDH1A1TLR2ADRB2ADRB1ADRB3
SCHEMBL15061850 0.83 ADRB2 (0.53) TLR2ADRB2ADRB1ADRB3ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150258047-A1 Therapeutic Compounds AKTHELIA PHARMACEUTICALS (IS) 2015-09-17 US disclosed
US-9078864-B2 Agonists for antimicrobial peptide systems AKTHELIA PHARMACEUTICALS (IS) 2015-07-14 US disclosed
US-20140155358-A1 Therapeutic Compounds AKTHELIA PHARMACEUTICALS (IS) 2014-06-05 US disclosed
US-20110118217-A1 Agonists for Antimicrobial Peptide Systems AKTHELIA PHARMACEUTICALS (IS) 2011-05-19 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-20110118217-A1 Agonists for Antimicrobial Peptide Systems VIP, GLP1R, MAVS ALDH1A1 3865/4885LMNA 4038/4885TLR2 58/4885
US-20150258047-A1 Therapeutic Compounds VIP, CFTR, ATF1 ALDH1A1 2247/4885LMNA 4633/4885TLR2 38/4885
US-20140155358-A1 Therapeutic Compounds VIP, CFTR, GABBR1 ALDH1A1 3159/4885LMNA 4425/4885TLR2 34/4885

“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.