SCHEMBL22945457

SCHEMBL22945457

c1ccc(-c2ccc(-c3nc(N4c5ccc6ccccc6c5-c5cccc6cccc4c56)nc4c3oc3ccccc34)cc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.30
TGFBR1 P36897 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30
GAA P10253 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
SCHEMBL22944776 0.93 TGFBR1 (0.34) AHRTSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL22945921 0.90 TSHR (0.34) AHRTSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL22945456 0.90 KDM4E (0.32) TSHRALDH1A1KDM4EMAPTHPGD
SCHEMBL22944744 0.89 PDE6D (0.37) TSHRALDH1A1KDM4EMAPTHPGD
SCHEMBL22945991 0.89 TSHR (0.35) TSHRALDH1A1KDM4EMAPTHPGD
SCHEMBL22945229 0.89 PDE6D (0.32) AHRTSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL22945749 0.89 AHR (0.32) AHRTSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL22944778 0.89 KDM4E (0.34) TSHRALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL22944914 0.87 TSHR (0.32) AHRTSHRALDH1A1NPC1SMN1; SMN2
SCHEMBL22946033 0.87 NPC1 (0.33) NPC1HSD17B10RAB9ACYP1A2

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 AHR 18/4885TSHR 716/4885ALDH1A1 271/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 AHR 18/4885TSHR 716/4885ALDH1A1 271/4885

“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.