SCHEMBL22945680

SCHEMBL22945680

c1ccc(-c2nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)nc3c2oc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
PDE6D O43924 1/20 0.34
MAPT P10636 9/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ADORA2A P29274 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL22945321 0.98 PDE6D (0.38) TSHRPDE6DMAPTALDH1A1LMNA
SCHEMBL22944909 0.93 LMNA (0.34) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL22945323 0.93 MAPT (0.33) TSHRPDE6DMAPTALDH1A1LMNA
SCHEMBL22945630 0.92 NPC1 (0.34) TSHRPDE6DCYP1A2CYP2C9CYP2C19
SCHEMBL22945324 0.92 NPC1 (0.35) TSHRPDE6DMAPTALDH1A1LMNA
SCHEMBL22945934 0.92 TSHR (0.38) TSHRPDE6DMAPTALDH1A1LMNA
SCHEMBL22945327 0.91 NPC1 (0.32) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL22945159 0.91 ALDH1A1 (0.37) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL22945693 0.91 PRKDC (0.36) TSHRPDE6DCYP1A2CYP2C9CYP2C19
SCHEMBL22946034 0.90 ALOX5 (0.35) TSHRMAPTALDH1A1LMNAKDM4E

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 TSHR 716/4885PDE6D 342/4885MAPT 2771/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 TSHR 716/4885PDE6D 342/4885MAPT 2771/4885

“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.