SCHEMBL21784643

SCHEMBL21784643

Clc1cccc2oc3cc4oc5ccccc5c4cc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 8/20 0.65
MAOA P21397 3/20 0.49
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TTR P02766 2/20 0.43
CYP1A2 P05177 2/20 0.42
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
PGAM1 P18669 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCAT1 P54687 1/20 0.39

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
SCHEMBL25584853 0.86 AHR (0.56) AHRMAPTMEN1KMT2AKDM4E
SCHEMBL30490062 0.85 AHR (0.55) AHRMAOAMAPTMEN1KMT2A
SCHEMBL472793 0.85 AHR (0.55) AHRMAOAMAPTMEN1KMT2A
SCHEMBL21204177 0.84 AHR (0.62) AHRMAOAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27557663 0.83 AHR (0.53) AHRMAOAMAPTMEN1KMT2A
SCHEMBL1635601 0.82 AHR (0.68) AHRMAOAMAPTMEN1KMT2A
SCHEMBL26021623 0.81 AHR (0.62) AHRMAOAMAPTMEN1KMT2A
SCHEMBL24034358 0.80 HSD17B10 (0.46) AHRMAOAMAPTKDM4EALDH1A1
SCHEMBL21115357 0.80 AHR (0.47) AHRMAPTMEN1KMT2ATTR
SCHEMBL21331576 0.79 AHR (0.56) AHRMAOAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220109115-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2022-04-07 US disclosed
WO-2020044270-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2020-03-05 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-20220109115-A1 POLYCYCLIC COMPOUND, AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND ODC1, OTC, PKD1 AHR 2150/4885MAOA 355/4885MAPT 3163/4885

“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.