SCHEMBL17439336

SCHEMBL17439336

COc1cc2c(cc1OC)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
ABCB1 P08183 3/20 0.64
MAOA P21397 1/20 0.64
APP P05067 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 3/20 0.61
ACHE P22303 5/20 0.60
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 2/20 0.59
HSD17B3 P37058 1/20 0.58
MAPK1 P28482 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
XBP1 P17861 1/20 0.57
RAB9A P51151 1/20 0.57
PAX8 Q06710 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL16065599 1.00 MAOB (0.64) MAOBABCB1MAOAAPPSMN1; SMN2
SCHEMBL5690929 0.87 MAOB (0.63) MAOBABCB1MAOAAPPSMN1; SMN2
SCHEMBL5690355 0.87 MAPT (0.74) MAOBABCB1SMN1; SMN2LMNAACHE
SCHEMBL5690560 0.86 MAOB (0.64) MAOBABCB1MAOAAPPACHE
SCHEMBL8069049 0.86 MAOB (0.64) MAOBABCB1MAOAAPPACHE
SCHEMBL5691841 0.86 MAOB (0.64) MAOBABCB1MAOAAPPACHE
SCHEMBL5690658 0.86 MAOB (0.64) MAOBABCB1MAOAAPPACHE
SCHEMBL28606469 0.85 CES2 (0.76) MAOBMAOA
SCHEMBL28606466 0.85 CES2 (0.76) MAOBMAOA
SCHEMBL17447196 0.85 MAOB (0.60) MAOBABCB1MAOAAPPACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B MAOB 242/4885ABCB1 4786/4885MAOA 331/4885

“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.