SCHEMBL22945144

SCHEMBL22945144

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1ccc(-c2nc3ccccc3nc2-c2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CHEK2 O96017 1/20 0.31
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRM4 Q14833 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
SCHEMBL21515241 0.93 PDE6D (0.40) PDE6DNPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL22945350 0.89 HSP90AA1 (0.33) PDE6DNPC1HSP90AA1HSP90AB1CHEK2
SCHEMBL22945618 0.86 ALDH1A1 (0.33) PDE6DHSP90AA1HSP90AB1CHEK2L3MBTL1
SCHEMBL22945065 0.86 PDE6D (0.34) PDE6DCHEK2
SCHEMBL22944764 0.85 PDE6D (0.43) PDE6DNPC1RAB9ATP53L3MBTL1
SCHEMBL22945528 0.84 PDE6D (0.52) PDE6DTP53L3MBTL1
SCHEMBL22945349 0.83 PRKDC (0.34) PDE6DTP53L3MBTL1
SCHEMBL22945526 0.83 PDE6D (0.54) PDE6DTP53L3MBTL1
SCHEMBL22944716 0.82 HSP90AA1 (0.34) PDE6DNPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL22944874 0.82 PDE6D (0.34) PDE6DNPC1RAB9AHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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 (2 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 PDE6D 342/4885NPC1 2397/4885RAB9A 1587/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885NPC1 2397/4885RAB9A 1587/4885

“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.