SCHEMBL22945327

SCHEMBL22945327

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2cccc3ccccc23)c2oc3ccccc3c2n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 5/20 0.32
HSD17B10 Q99714 4/20 0.32
LMNA P02545 2/20 0.32
CREBBP Q92793 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.31
TSHR P16473 3/20 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
SCHEMBL22946034 0.93 ALOX5 (0.35) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22944891 0.93 HSD17B10 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22945323 0.92 MAPT (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22944726 0.92 ALDH1A1 (0.34) MAPTHSD17B10LMNACREBBPPIM1
SCHEMBL22945680 0.91 TSHR (0.36) CYP1A2CYP2C9CYP2C19MAPTHSD17B10
SCHEMBL22944910 0.89 TSHR (0.34) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22945324 0.89 NPC1 (0.35) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22945321 0.89 PDE6D (0.38) CYP1A2CYP2C9CYP2C19MAPTHSD17B10
SCHEMBL22944909 0.88 LMNA (0.34) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22945693 0.88 PRKDC (0.36) NPC1CYP1A2CYP2C9CYP2C19RAB9A

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 NPC1 2397/4885CYP1A2 206/4885CYP2C9 494/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 NPC1 2397/4885CYP1A2 206/4885CYP2C9 494/4885

“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.