SCHEMBL22945239

SCHEMBL22945239

c1ccc2c(c1)-c1cccc3cccc(c13)N2c1ccc(-c2nc(-c3cccc4cccnc34)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.31
KRAS P01116 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 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
SCHEMBL22945514 0.93 PDE6D (0.33) PDE6DALDH1A1POLBKDM4EMEN1
SCHEMBL26737064 0.91 PDE6D (0.33) PDE6DALDH1A1POLBKDM4EMEN1
SCHEMBL22945225 0.91 PDE6D (0.33) PDE6DALDH1A1POLBKDM4EMEN1
SCHEMBL22945438 0.88 KRAS (0.37) PDE6DALDH1A1KDM4EMAPTPIK3CA
SCHEMBL22945240 0.86 POLB (0.31) PDE6DALDH1A1POLBKDM4EMEN1
SCHEMBL22944962 0.85 ALDH1A1 (0.36) ALDH1A1POLBKDM4EMEN1LMNA
SCHEMBL21515453 0.83 PDE6D (0.41) PDE6DALDH1A1POLBKDM4EMEN1
SCHEMBL22944953 0.82 ALDH1A1 (0.34) PDE6DALDH1A1POLBKDM4EMEN1
SCHEMBL22945513 0.81 KRAS (0.35) PDE6DPIK3CAKRAS
SCHEMBL22945435 0.81 PRKDC (0.36) PDE6D

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 342/4885ALDH1A1 271/4885POLB 3384/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885ALDH1A1 271/4885POLB 3384/4885

“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.