SCHEMBL22019274

SCHEMBL22019274

CP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc(P(C)(C)=O)c3)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
ACHE P22303 2/20 0.33
GRIK1 P39086 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
LRRK2 Q5S007 1/20 0.31
FBP1 P09467 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALOX5 P09917 1/20 0.31
ACVR1 Q04771 1/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL22020406 0.98 ESR1 (0.33) ESR1ACHEGRIK1TSHRCA2
SCHEMBL22019488 0.96 ACHE (0.35) ESR1ACHEGRIK1ALOX5ESR2
SCHEMBL19002149 0.93 ACHE (0.37) ESR1ACHEGRIK1TSHRCA2
SCHEMBL18893073 0.93 ACHE (0.37) ESR1ACHEHDAC8ESR2
SCHEMBL30980792 0.93 ACHE (0.37) ESR1ACHEGRIK1TSHRCA2
SCHEMBL28595787 0.92 HDAC8 (0.30) ESR1HDAC8
SCHEMBL31072289 0.92 HDAC8 (0.30) ESR1HDAC8
SCHEMBL22019265 0.91 PTPN5 (0.36) ACHEGRIK1CA2HDAC8
SCHEMBL22020407 0.90 ACVR1 (0.32) ACVR1
SCHEMBL18893042 0.90 HDAC8 (0.38) ESR1ACHEGRIK1CA2HDAC8

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
EP-3406599-B1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR LAYER NOVALED GMBH (DE) 2023-02-22 EP disclosed
US-20200161559-A1 Organic Electronic Device Comprising an Organic Semiconductor Layer NOVALED GMBH (DE) 2020-05-21 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-20200161559-A1 Organic Electronic Device Comprising an Organic Semiconductor Layer C1S, YAP1, ESR1 ESR1 3/4885ACHE 1502/4885GRIK1 1679/4885

“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.