SCHEMBL22376992

SCHEMBL22376992

Brc1ccc(-c2ccc3oc4ccccc4c3c2)c2oc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC14B O60729 3/20 0.40
CDC14A Q9UNH5 3/20 0.40
AHR P35869 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PLA2G2A P14555 2/20 0.37
PLA2G4A P47712 2/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL22376876 0.91 ALOX5 (0.46) ALOX5NPC1MAPTKDM4EMEN1
SCHEMBL18382954 0.85 CDC14B (0.50) ALOX5NPC1MAPTMEN1ALDH1A1
SCHEMBL30152085 0.85 CDC14B (0.52) ALOX5NPC1MAPTKDM4EMEN1
SCHEMBL18382951 0.85 CDC14B (0.52) ALOX5NPC1MAPTKDM4EMEN1
SCHEMBL26427673 0.84 ALOX5 (0.42) ALOX5NPC1KDM4EMEN1ALDH1A1
SCHEMBL23504718 0.84 ALOX5 (0.47) ALOX5NPC1MAPTKDM4EMEN1
SCHEMBL24487444 0.84 CDC14B (0.46) ALOX5NPC1MAPTMEN1ALDH1A1
SCHEMBL4570805 0.83 MAPT (0.47) ALOX5NPC1MAPTKDM4EMEN1
SCHEMBL22377439 0.83 ALOX5 (0.39) ALOX5MAPTALDH1A1HPGDRAB9A
SCHEMBL23504679 0.82 ALOX5 (0.45) ALOX5NPC1MAPTKDM4EMEN1

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-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-08-27 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-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, CCNA1, CCNE2 ALOX5 3623/4885NPC1 3114/4885MAPT 3774/4885

“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.