SCHEMBL828154

SCHEMBL828154

N#CCCOC(=O)CC1(CC(=O)O)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 2/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
CACNA2D1 P54289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.35
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL828337 0.80 CYP2C19 (0.31) CYP2C19
SCHEMBL29127308 0.76 CYP1A2 (0.52) ALDH1A1CYP1A2USP2LMNATSHR
Cycloheptane SCHEMBL20528163 0.75 MAPT (0.33) LMNAKMT2A
Cyclopentane SCHEMBL20528160 0.75 MAPT (0.33) LMNAKMT2A
Cyclohexane SCHEMBL20528150 0.75 MAPT (0.33) LMNAKMT2A
SCHEMBL13945296 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL395803 0.75 ALDH1A1 (0.59) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL3421776 0.74 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL98282 0.74 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL2871721 0.74 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR

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-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 US disclosed
US-20090239950-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF XENOPORT, INC. (US) 2009-09-24 US disclosed
US-7560483-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2009-07-14 US disclosed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 US disclosed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US disclosed
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof ARBOR PHARMACEUTICALS, LLC 2003-09-11 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-20090239950-A1 METHODS FOR SYNTHESIS OF PRODRUGS FROM 1-ACYL-ALKYL DERIVATIVES AND COMPOSITIONS THEREOF AADAC, UGT1A1, ABHD5 ALDH1A1 126/4885CYP1A2 21/4885USP2 3058/4885
US-20030171303-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, AGPAT5 ALDH1A1 158/4885CYP1A2 24/4885USP2 3238/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 ALDH1A1 126/4885CYP1A2 21/4885USP2 3058/4885

“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.