SCHEMBL14249247

SCHEMBL14249247

CC(C)=CCCC(C)=CCCC(C)=CCc1cc(C)cc(O)c1O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.71
PTPN1 P18031 2/20 0.71
OSBP P22059 1/20 0.62
MAOB P27338 6/20 0.62
APP P05067 4/20 0.62
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL15970232 1.00 BACE1 (0.71) BACE1PTPN1OSBPMAOBAPP
SCHEMBL10494091 0.87 OSBP (0.64) BACE1PTPN1OSBPMAOBAPP
SCHEMBL10494097 0.87 OSBP (0.64) BACE1PTPN1OSBPMAOBAPP
Grifolin SCHEMBL21065400 0.83 PTPN1 (1.00) BACE1PTPN1OSBPMAOBAPP
Grifolin SCHEMBL8589594 0.83 PTPN1 (1.00) BACE1PTPN1OSBPMAOBAPP
SCHEMBL15970620 0.82 MAOB (0.62) BACE1PTPN1OSBPMAOBAPP
SCHEMBL15970619 0.82 MAOB (0.62) BACE1PTPN1OSBPMAOBAPP
SCHEMBL30777317 0.82 BACE1 (0.58) BACE1PTPN1OSBPMAOBAPP
SCHEMBL30508969 0.82 BACE1 (0.58) BACE1PTPN1OSBPMAOBAPP
SCHEMBL8024047 0.82 BACE1 (0.62) BACE1PTPN1OSBPMAOBAPP

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 3919/4885OSBP 679/4885

“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.