SCHEMBL14248732

SCHEMBL14248732

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.57
▸ BACE1 P56817 1/20 0.57
▸ TRPV1 Q8NER1 4/20 0.56
▸ CNR1 P21554 2/20 0.56
▸ CNR2 P34972 2/20 0.56
▸ MAOB P27338 5/20 0.54
▸ APP P05067 3/20 0.54
▸ PPARG P37231 6/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ INHA P05111 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ TRPV3 Q8NET8 1/20 0.53
▸ TRPV4 Q9HBA0 1/20 0.53
▸ TRPV2 Q9Y5S1 1/20 0.53

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
SCHEMBL15970225 1.00 PTPN1 (0.57) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL15970447 1.00 PTPN1 (0.57) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL15970448 1.00 PTPN1 (0.57) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL14248573 0.98 PTPN1 (0.55) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL14248571 0.98 PTPN1 (0.55) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL8881800 0.83 MAOB (0.55) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL8881795 0.83 MAOB (0.55) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL1291989 0.83 XDH (0.59) BACE1CNR1PPARGTRPA1SLC6A2
SCHEMBL28252862 0.82 PPARG (0.57) PTPN1BACE1TRPV1CNR1CNR2
SCHEMBL4567342 0.81 PTPN1 (0.74) PTPN1BACE1TRPV1CNR1CNR2

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 PTPN1 3919/4885BACE1 769/4885TRPV1 3738/4885

“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.

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