SCHEMBL13799428

SCHEMBL13799428

CCOc1ccc2oc(C)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 5/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CYP1A2 P05177 2/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MAOB P27338 2/20 0.47
NQO1 P15559 1/20 0.45
DYRK1A Q13627 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL13038089 0.86 CA9 (0.63) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL14642175 0.84 DYRK1A (0.42) CA12CA1CA9CA4MAOB
SCHEMBL23635069 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCYP1A2MAOB
SCHEMBL30230211 0.81 DYRK1A (0.44) CA12CA1CA9CA4CA6
SCHEMBL17401002 0.81 CYP1A2 (0.49) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL20323697 0.80 HTR1B (0.46) ALDH1A1KDM4ECA12CA1CA9
SCHEMBL31302492 0.80 MAOB (0.44) CA12CA1CA9CA4CA6
SCHEMBL18551045 0.80 MAOB (0.44) CA12CA1CA9CA4CA6
SCHEMBL266808 0.79 CYP2A6 (0.58) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL23635068 0.79 KDM4E (0.57) ALDH1A1KDM4EHPGDMAOBGAA

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 ALDH1A1 485/4885KDM4E 1731/4885HPGD 741/4885

“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.