SCHEMBL22019686

SCHEMBL22019686

CP(C)(=O)c1cccc(-c2ccc3c(-c4ccccc4)c4cc(-c5cccc(P(C)(C)=O)c5)ccc4c(-c4ccccc4)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B1 P14061 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B2 P37059 1/20 0.35
FEN1 P39748 1/20 0.34
GRIK1 P39086 1/20 0.34
ESR1 P03372 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ESR2 Q92731 1/20 0.33
ACHE P22303 1/20 0.33
BRD4 O60885 1/20 0.32
GGPS1 O95749 1/20 0.32
PTPN5 P54829 2/20 0.32
PTPN1 P18031 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL23129227 0.98 ACHE (0.35) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL23129228 0.97 FEN1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL18893042 0.92 HDAC8 (0.38) FEN1GRIK1ESR1TNKS2HDAC8
SCHEMBL26453789 0.90 THRA (0.32) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL22019265 0.90 PTPN5 (0.36) FEN1GRIK1TNKS2HDAC8ACHE
SCHEMBL25601589 0.89 ESR1 (0.30) ESR1ESR2
SCHEMBL19002149 0.89 ACHE (0.37) GRIK1ESR1HDAC8ESR2ACHE
SCHEMBL30980792 0.89 ACHE (0.37) GRIK1ESR1HDAC8ESR2ACHE
SCHEMBL18893073 0.89 ACHE (0.37) ESR1HDAC8ESR2ACHEGGPS1
SCHEMBL22019488 0.88 ACHE (0.35) GRIK1ESR1ESR2ACHEPTPN5

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 CYP1A2 113/4885CYP3A4 221/4885CYP2D6 550/4885

“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.