SCHEMBL22945588

SCHEMBL22945588

c1ccc2c3c(ccc2c1)N(c1ccc2ccc(-c4nc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c5n4)cc2c1)c1cccc2cccc-3c12

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 2/20 0.30
LMNA P02545 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL22944948 0.92 PDE6D (0.32) PDE6DALDH1A1HPGDTSHRNPC1
SCHEMBL22945701 0.89 NPC1 (0.32) PDE6DALDH1A1HPGDTSHRNPC1
SCHEMBL22945586 0.89 PRKDC (0.34) PDE6DALDH1A1HPGDTSHRCYP1A2
SCHEMBL22945992 0.89 PDE6D (0.31) PDE6DALDH1A1HPGDTSHRNPC1
SCHEMBL22945731 0.89 MAPK9 (0.32) PDE6DALDH1A1HPGDTSHRNPC1
SCHEMBL22946030 0.87 ALOX5 (0.31) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22945726 0.86 PDE6D (0.38) PDE6DALDH1A1HPGDTSHRCYP1A2
SCHEMBL22945986 0.85
SCHEMBL22945580 0.84 PDE6D (0.32) PDE6DALDH1A1TSHRMEN1LMNA
SCHEMBL22945458 0.84

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 271/4885HPGD 2943/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885ALDH1A1 271/4885HPGD 2943/4885

“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.