SCHEMBL939773

SCHEMBL939773

C=CCOC(=O)CC1(CC(=O)O)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
CACNA2D1 P54289 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3394048 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRUSP2LMNA
Hydrochloric Acid SCHEMBL612325 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL7825503 0.80 ALDH1A1 (0.38) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL29127308 0.78 CYP1A2 (0.52) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL395803 0.77 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL15456626 0.77 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL98282 0.76 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL2871721 0.76 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL3421776 0.76 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL10602483 0.76 ALDH1A1 (0.74) ALDH1A1CYP1A2TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868041-B2 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2011-01-11 US disclosed
US-20090270493-A1 CYCLIC 1-(ACYLOXY)-ALKYL PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-10-29 US disclosed
US-7569576-B2 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. (US) 2009-08-04 US disclosed
US-20060122125-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2006-06-08 US disclosed
US-7026351-B2 Gamma-aminobutyric acid (GABA); prodrugs of gabapentin and/or pregabalin; for sustained release; for treatment of pain and epilepsy XENOPORT, INC. (US) 2006-04-11 US disclosed
US-20030236200-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof XENOPORT, INC. 2003-12-25 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-20090270493-A1 CYCLIC 1-(ACYLOXY)-ALKYL PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB3, GABRB2 ALDH1A1 136/4885CYP1A2 346/4885TSHR 2603/4885
US-20060122125-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB3, GABRB2 ALDH1A1 136/4885CYP1A2 346/4885TSHR 2603/4885
US-20030236200-A1 Cyclic 1-(acyloxy)-alkyl prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB3, GABRB2 ALDH1A1 136/4885CYP1A2 346/4885TSHR 2603/4885

“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.