SCHEMBL13799424

SCHEMBL13799424

COc1cc2cc(C)oc2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 3/20 0.41
EPAS1 Q99814 2/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
AMY1A P0DUB6 1/20 0.41

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
SCHEMBL9961317 0.80 DYRK1A (0.47) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL4419972 0.78 DYRK1A (0.45) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL25165205 0.75 DYRK1A (0.44) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL28374261 0.75 MCL1 (0.55) MCL1MEN1KMT2AKDM4EMAPT
SCHEMBL21166571 0.74 DYRK1A (0.40) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL21166585 0.74 DYRK1A (0.40) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL862531 0.73 DYRK1A (0.42) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL20135974 0.72 MCL1 (0.47) MCL1MEN1KMT2AKDM4EPTGS1
SCHEMBL719714 0.72 ALDH1A1 (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL266808 0.72 CYP2A6 (0.58) KDM4EMAPTALDH1A1HPGDCA12

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 MCL1 3526/4885MEN1 4699/4885KMT2A 4322/4885

“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.