SCHEMBL20995337

SCHEMBL20995337

CC(C)c1cccc(C(C)C)c1-c1cnn(-c2cc(Cl)cc(Br)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.41
HSP90AA1 P07900 1/20 0.36
PLK1 P53350 1/20 0.35
MAP4K4 O95819 1/20 0.34
GRM4 Q14833 3/20 0.34
MKNK1 Q9BUB5 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
STAT6 P42226 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL23219317 0.85 KDM5B (0.53) KDM5BHSP90AA1MAP4K4GRM4MKNK1
SCHEMBL20518504 0.85 ALDH1A1 (0.38) KDM5BHSP90AA1GRM4MKNK1ALDH1A1
SCHEMBL20995328 0.85 KDM5B (0.41) KDM5BHSP90AA1MAP4K4GRM4MKNK1
SCHEMBL20995327 0.85 MAPT (0.41) KDM5BHSP90AA1MAP4K4GRM4MKNK1
SCHEMBL23039435 0.79 RXRA (0.43) KDM5BHSP90AA1GRM4
SCHEMBL19928303 0.78 GRM4 (0.49) KDM5BHSP90AA1GRM4ALDH1A1MAPT
SCHEMBL30299449 0.75 MAPT (0.44) KDM5BHSP90AA1ALDH1A1MAPTHPGD
SCHEMBL22128055 0.75 MKNK1 (0.41) KDM5BHSP90AA1GRM4MKNK1ALDH1A1
SCHEMBL20591268 0.75 MAPT (0.44) KDM5BHSP90AA1ALDH1A1MAPTHPGD
SCHEMBL5217029 0.74 GRM5 (0.53) HSP90AA1GRM4MKNK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11825735-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-21 US disclosed
US-20190165284-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-05-30 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-11825735-B2 Organic electroluminescent materials and devices L1CAM, SOD1, KCNH1 KDM5B 3575/4885HSP90AA1 3795/4885PLK1 3701/4885
US-20190165284-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, KCNH1 KDM5B 3575/4885HSP90AA1 3795/4885PLK1 3701/4885

“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.