SCHEMBL14248288

SCHEMBL14248288

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1c(C)c(C)c(O)c(O)c1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.60
PTPN1 P18031 2/20 0.60
APP P05067 7/20 0.60
MAOB P27338 6/20 0.60
KMT2A Q03164 1/20 0.52
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL15970480 1.00 BACE1 (0.60) BACE1PTPN1APPMAOBKMT2A
SCHEMBL15970523 0.92 APP (0.62) BACE1PTPN1APPMAOBKMT2A
SCHEMBL14248951 0.92 APP (0.62) BACE1PTPN1APPMAOBKMT2A
SCHEMBL27414819 0.90 BACE1 (0.60) BACE1PTPN1APPMAOBKMT2A
SCHEMBL27160315 0.90 BACE1 (0.60) BACE1PTPN1APPMAOBKMT2A
SCHEMBL27414810 0.90 BACE1 (0.60) BACE1PTPN1APPMAOBKMT2A
SCHEMBL11650628 0.90 BACE1 (0.60) BACE1PTPN1APPMAOBKMT2A
SCHEMBL30730012 0.90 BACE1 (0.60) BACE1PTPN1APPMAOBKMT2A
SCHEMBL29761488 0.83 APP (0.76) BACE1PTPN1APPMAOB
SCHEMBL12539779 0.83 BACE1 (0.56) BACE1PTPN1APPMAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464016-B2 Catechol derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
US-20140243424-A1 CATECHOL DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
EP-2720689-A1 CATECHOL DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012174286-A1 CATECHOL DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2012-12-20 WO 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-20140243424-A1 CATECHOL DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES OPA1, PC, PCK2 BACE1 769/4885PTPN1 3919/4885APP 638/4885

“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.