SCHEMBL1751676

SCHEMBL1751676

O=C(O)C1=C(c2ccccc2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.65
SLC6A2 P23975 9/20 0.65
SLC6A4 P31645 1/20 0.65
DHODH Q02127 1/20 0.49
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
FGF23 Q9GZV9 1/20 0.42
PTGS2 P35354 1/20 0.42
CFTR P13569 1/20 0.40
GOPC Q9HD26 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
SCHEMBL4350863 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1752156 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1751614 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL4350872 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1752157 1.00 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL1751726 0.96 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL10384372 0.87 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4DHODHFABP4
SCHEMBL4350867 0.85 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL17972851 0.84 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4FGF23PTGS2
SCHEMBL6692371 0.84 SLC6A3 (0.57) SLC6A3SLC6A2SLC6A4DHODHFGF23

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US claimed
EP-2029541-B1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2009-12-30 EP claimed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US disclosed
EP-2029541-B1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2009-12-30 EP disclosed
EP-2029541-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 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-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 SLC6A3 2693/4885SLC6A2 2378/4885SLC6A4 2893/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C SLC6A3 2337/4885SLC6A2 2332/4885SLC6A4 3061/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C SLC6A3 2337/4885SLC6A2 2332/4885SLC6A4 3061/4885

“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.