SCHEMBL23775969

SCHEMBL23775969

Cn1c2ccc(-c3ccccc3)c3c4ccccc4n4c5ccccc5c5ccc1c(c32)c54

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
HSD17B10 Q99714 4/20 0.39
HSP90AA1 P07900 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NQO2 P16083 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL23775968 0.86 IDO1 (0.42) GPR3HSD17B10HSP90AA1IDO1KDM4E
SCHEMBL23438594 0.85 HSD17B10 (0.41) GPR3HSD17B10HSP90AA1IDO1KDM4E
SCHEMBL21473021 0.84 HSP90AA1 (0.33) HSD17B10HSP90AA1IDO1KDM4EMAPT
SCHEMBL23776035 0.84 GPR3 (0.39) GPR3HSD17B10HSP90AA1IDO1KDM4E
SCHEMBL23775983 0.82 GPR3 (0.40) GPR3HSD17B10HSP90AA1IDO1KDM4E
SCHEMBL23776258 0.82 GPR3 (0.40) GPR3HSD17B10HSP90AA1IDO1KDM4E
SCHEMBL21472957 0.82 PSEN1 (0.32) HSD17B10HSP90AA1IDO1KDM4EMAPT
SCHEMBL21449205 0.81 GPR3 (0.50) GPR3HSD17B10HSP90AA1IDO1KDM4E
SCHEMBL23776016 0.78 RXRA (0.45) GPR3HSD17B10KDM4EMAPTHPGD
SCHEMBL23776257 0.78 RXRA (0.45) GPR3HSD17B10KDM4EMAPTHPGD

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-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-08-19 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-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, RIF1 GPR3 4798/4885HSD17B10 3535/4885HSP90AA1 2318/4885

“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.