SCHEMBL5722935

SCHEMBL5722935

COc1cccc2cc(-c3ccccc3)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
KDM4E B2RXH2 5/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 4/20 0.64
PKM P14618 1/20 0.64
MAOA P21397 2/20 0.63
MAOB P27338 1/20 0.63
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 5/20 0.55
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
AR P10275 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52

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
SCHEMBL5722821 0.86 ALDH1A1 (0.58) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5585419 0.84 RAB9A (0.70) RAB9AKDM4ENPC1SMN1; SMN2MAPT
Iodide SCHEMBL8300108 0.83 ALDH1A1 (0.52) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL1428881 0.81 ESR1 (0.56) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5722931 0.80 ADORA3 (0.72) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL11475453 0.78 NPC1 (1.00) RAB9AKDM4ENPC1SMN1; SMN2MAPT
8-Methoxyflavone SCHEMBL26180800 0.78 ALDH1A1 (0.74) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL11732417 0.77 MAOB (1.00) RAB9AKDM4ENPC1MAPTMAOA
SCHEMBL5722865 0.77 ALDH1A1 (0.66) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5723099 0.77 ALDH1A1 (0.50) RAB9AKDM4ENPC1SMN1; SMN2MAPT

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-20200324287-A1 OLIGONUCLEOTIDE ENCODED CHEMICAL LIBRARIES Plexium, Inc. (US) 2020-10-15 US disclosed
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 RAB9A 2778/4885KDM4E 3975/4885NPC1 956/4885

“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.