SCHEMBL22944892

SCHEMBL22944892

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2ccc3oc4ccccc4c3c2)c2oc3ccccc3c2n1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
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
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PRKDC P78527 1/20 0.31
PDE6D O43924 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL22945693 0.94 PRKDC (0.36) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22945197 0.93 ALOX5 (0.34) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22945324 0.93 NPC1 (0.35) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22945321 0.91 PDE6D (0.38) ALOX5CYP1A2CYP2C9CYP2C19PDE6D
SCHEMBL22945680 0.91 TSHR (0.36) CYP1A2CYP2C9CYP2C19PDE6DALDH1A1
SCHEMBL22945630 0.89 NPC1 (0.34) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22946043 0.89
SCHEMBL22946034 0.89 ALOX5 (0.35) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL22944891 0.89 HSD17B10 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL22945198 0.88 PRKDC (0.38) ALOX5PRKDCPDE6DPIM1CSNK2A2

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 ALOX5 386/4885NPC1 2397/4885CYP1A2 206/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALOX5 386/4885NPC1 2397/4885CYP1A2 206/4885

“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.