SCHEMBL29625828

SCHEMBL29625828

COc1cccc(OC)c1-c1ncccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLAU P00749 1/20 0.47
NSD2 O96028 1/20 0.43
CASP6 P55212 1/20 0.43
G6PD P11413 1/20 0.43
S100A4 P26447 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23175282 1.00 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1PLAU
SCHEMBL23947127 0.89 NSD2 (0.44) ALDH1A1ADRA2BPTGS1TDP1PLAU
SCHEMBL2714237 0.81 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1S100A4
SCHEMBL28410071 0.80 MGAM (0.49) ALDH1A1ADRA2BPTGS1TDP1PLAU
SCHEMBL2642064 0.77 NOS3 (0.54) TDP1PLAUNPC1RAB9ALMNA
SCHEMBL5702570 0.76 CA1 (0.50) ALDH1A1ADRA2BPTGS1TDP1PLAU
SCHEMBL7276398 0.76 ALDH1A1 (0.65) ALDH1A1ADRA2BPTGS1TDP1HSP90AA1
SCHEMBL30816756 0.76 ALDH1A1 (0.65) ALDH1A1ADRA2BPTGS1TDP1HSP90AA1
SCHEMBL29894839 0.76 CA1 (0.50) ALDH1A1ADRA2BPTGS1TDP1PLAU
SCHEMBL23946703 0.76 NSD2 (0.45) ALDH1A1ADRA2BPTGS1TDP1PLAU

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
CN-114502554-B Metal complex and electron transport material using the same 大电株式会社 2025-04-25 CN disclosed
US-20220344599-A1 METAL COMPLEX AND ELECTRON TRANSPORTING MATERIAL COMPRISING SAME DYDEN CORPORATION (JP) 2022-10-27 US disclosed
CN-114502554-A Metal complex and electron transport material using the same 大电株式会社 2022-05-13 CN 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 (1 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-20220344599-A1 METAL COMPLEX AND ELECTRON TRANSPORTING MATERIAL COMPRISING SAME RB1, RER1, RRS1 ALDH1A1 2206/4885ADRA2B 4160/4885PTGS1 3373/4885

“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.