SCHEMBL3409902

SCHEMBL3409902

CC(C)(C)CC(O)CC(O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.50
MAPT P10636 1/20 0.43
GABRR1 P24046 2/20 0.43
LMNA P02545 1/20 0.43
GPR84 Q9NQS5 4/20 0.39
HMGCR P04035 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PGD P52209 1/20 0.35
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL3188147 0.89 SLC22A6 (0.57) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL18538667 0.89 SLC22A6 (0.57) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL607504 0.89 SLC22A6 (0.57) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL14642987 0.81 TSHR (0.32)
SCHEMBL13071622 0.81 TSHR (0.32)
SCHEMBL6453593 0.81 SLC22A6 (0.75) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL21654291 0.79 SLC22A6 (0.46) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL13991523 0.79 SLC22A6 (0.46) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL14962078 0.76 SLC22A6 (0.52) SLC22A6MAPTGABRR1LMNAGPR84
SCHEMBL3357870 0.75 NAALAD2 (0.38) GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315447-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2016-04-19 US disclosed
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2014-09-18 US disclosed
US-8673881-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2014-03-18 US disclosed
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2012-04-26 US disclosed
US-20110245528-A1 THERAPEUTIC COMPOUNDS SCHWARTZ C ERIC 2011-10-06 US disclosed
US-20080140450-A1 Treatment of metabolic syndrome with norfluoxetine AMPLA PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
US-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease RESOLVYX PHARMACEUTICALS, INC. (US) 2007-11-01 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 (5 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-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease ALOX15B, ALOX5, ALOX15 SLC22A6 1737/4885MAPT 4520/4885GABRR1 3274/4885
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 SLC22A6 4585/4885MAPT 2782/4885GABRR1 2009/4885
US-20110245528-A1 THERAPEUTIC COMPOUNDS ALOX5, ALOX15B, ALOX12 SLC22A6 3463/4885MAPT 3683/4885GABRR1 1477/4885
US-20080140450-A1 Treatment of metabolic syndrome with norfluoxetine ADRB3, FFAR3, SLC6A4 SLC22A6 2177/4885MAPT 1500/4885GABRR1 1354/4885
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 SLC22A6 4585/4885MAPT 2782/4885GABRR1 2009/4885

“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.