SCHEMBL4339005

SCHEMBL4339005

CC(=O)OC(OC(=O)NCC1CCCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
OPRK1 P41145 1/20 0.51
EPHX1 P07099 2/20 0.48
HPGD P15428 1/20 0.47
BCHE P06276 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
Acetic Acid SCHEMBL4755059 0.88 LMNA (0.48) TSHROPRK1EPHX1HPGDBCHE
Acetic Acid SCHEMBL5147236 0.80 ALDH1A1 (0.52) TSHROPRK1EPHX1BCHESMN1; SMN2
Bicarbonate SCHEMBL3258777 0.76 CTSK (0.45) OPRK1EPHX1EPHX2ALDH1A1
Acetic Acid SCHEMBL3808908 0.76 CTSK (0.45) OPRK1EPHX1EPHX2ALDH1A1
Acetic Acid SCHEMBL4754474 0.76 LMNA (0.53) OPRK1EPHX1HPGDSMN1; SMN2ALDH1A1
SCHEMBL4347373 0.75 LMNA (0.55) OPRK1EPHX1HPGDBCHESMN1; SMN2
SCHEMBL9294007 0.75 KCNA5 (0.49) OPRK1EPHX1BCHEEPHX2
SCHEMBL486678 0.74 ALDH1A1 (0.63) TSHRHPGDALDH1A1LMNA
Bicarbonate SCHEMBL3256726 0.74 LMNA (0.54) OPRK1EPHX1HPGDBCHESMN1; SMN2
Acetic Acid SCHEMBL5145744 0.74 LMNA (0.51) OPRK1EPHX1HPGDBCHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
EP-2085087-A1 Prodrugs of gaba analogs, compositions and uses thereof Xenoport, Inc. (US) 2009-08-05 EP 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 (1 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-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 TSHR 2583/4885OPRK1 313/4885EPHX1 846/4885

“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.