SCHEMBL1752183

SCHEMBL1752183

O=C(O)C1CCCCCCC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 1/20 0.56
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FABP7 O15540 3/20 0.48
FABP5 Q01469 3/20 0.48
FABP3 P05413 2/20 0.48
HTT P42858 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 0.45
HDAC4 P56524 1/20 0.44

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
SCHEMBL12592461 1.00 SLC6A2 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL1752024 1.00 SLC6A2 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL22492058 0.98 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL22492062 0.98 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL838634 0.98 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL12354198 0.98 KCNQ3 (0.56) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL12592455 0.94 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL4522521 0.94 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL7352068 0.94 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2HPGD
SCHEMBL7352063 0.94 KCNQ3 (0.53) SLC6A2SLC6A4KCNQ3KCNQ2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-101460461-B Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE 2012-10-03 CN claimed
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
CN-101460461-A Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE (CH) 2009-06-17 CN claimed
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 claimed
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 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
CN-101460461-B Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE 2012-10-03 CN 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
CN-101460461-A Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE (CH) 2009-06-17 CN 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 SLC6A2 2378/4885SLC6A4 2893/4885KCNQ3 3910/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C SLC6A2 2332/4885SLC6A4 3061/4885KCNQ3 3897/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C SLC6A2 2332/4885SLC6A4 3061/4885KCNQ3 3897/4885

“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.