SCHEMBL13799415

SCHEMBL13799415

COc1cccc2c1OC(C)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR7 P34969 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
POLL Q9UGP5 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 5/20 0.40
ACHE P22303 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
SCHEMBL4714383 0.83 PRKAB2 (0.44) PARP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7111930 0.83 DRD2 (0.46) ALDH1A1KDM4EHPGDHSD17B10DRD2
SCHEMBL4224918 0.81 HTR7 (0.43) ALDH1A1KDM4EHPGDHSD17B10HTR7
SCHEMBL8492014 0.80 PARP1 (0.43) PARP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13925631 0.79 MAOA (0.64) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL13925633 0.79 MAOA (0.64) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL13925630 0.79 MAOA (0.64) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL4596031 0.78 PARP1 (0.54) PARP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4226542 0.77 PRKAB2 (0.63) ALDH1A1KDM4EHPGDHTR7DRD2
SCHEMBL4596960 0.77 HPGD (0.56) ALDH1A1KDM4EHPGDHSD17B10HTR7

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-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 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 (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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 PARP1 4644/4885ALDH1A1 485/4885KDM4E 1731/4885

“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.