SCHEMBL22011432

SCHEMBL22011432

Ic1cc2c(cc(I)c3sc4ccccc4c32)c2c1sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
GPR3 P46089 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
HCRTR1 O43613 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTPN1 P18031 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL24171866 0.90 ALDH1A1 (0.43) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL22011430 0.90 GPR3 (0.41) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL24614818 0.85 GPR3 (0.41) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL24659225 0.82 GPR3 (0.46) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL17689841 0.78 GPR3 (0.57) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL22011437 0.78 GPR3 (0.39) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL24614819 0.77 MAPT (0.41) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL25812789 0.76 ALDH1A1 (0.50) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL22601487 0.76 GPR3 (0.50) TNKSTNKS2GPR3MAPTMEN1
SCHEMBL19585347 0.76 PTPN1 (0.42) TNKSTNKS2GPR3MAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 TNKS 3801/4885TNKS2 2931/4885GPR3 2982/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 TNKS 3801/4885TNKS2 2931/4885GPR3 2982/4885

“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.