SCHEMBL21784552

SCHEMBL21784552

COc1cc(OC)c(-c2c(F)cccc2Cl)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.42
PDE7A Q13946 1/20 0.39
PTGES O14684 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 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
SCHEMBL21784825 0.84 ORAI1 (0.42) ORAI1PDE7AKMT2AMEN1POLB
SCHEMBL26266194 0.82 ORAI1 (0.47) ORAI1PDE7APTGESKMT2AMEN1
SCHEMBL5186081 0.80 ORAI1 (0.43) ORAI1PDE7AKMT2AMEN1HSP90AA1
SCHEMBL24390457 0.80 KMT2A (0.44) ORAI1PDE7APTGESKMT2AMEN1
SCHEMBL21784548 0.79 CYP1A1 (0.53) ORAI1PDE7APTGESKMT2AMEN1
SCHEMBL22177425 0.78 HSP90AA1 (0.41) ORAI1PTGESKMT2AMEN1POLB
SCHEMBL26536556 0.77 ORAI1 (0.44) ORAI1PDE7APTGESKMT2AMEN1
SCHEMBL19802964 0.77 POLB (0.38) ORAI1PTGESKMT2AMEN1POLB
SCHEMBL20321846 0.76 NPC1 (0.45) ALDH1A1MAPTHTR2AHTR2C
SCHEMBL21784550 0.75 EGFR (0.44) ORAI1PDE7APTGESKMT2AMEN1

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 ORAI1 401/4885PDE7A 4394/4885PTGES 1791/4885

“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.