SCHEMBL21023099

SCHEMBL21023099

CCc1ccc(-c2ccccc2)cc1-c1cc(C(C)C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PTGS2 P35354 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
CYP17A1 P05093 1/20 0.36
TGFBR1 P36897 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 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
SCHEMBL14979383 0.90 CTSK (0.39) RXRARXRBRXRGMAPKAPK2CYP17A1
SCHEMBL18571454 0.82 LMNA (0.41) RXRARXRBRXRGCYP17A1TGFBR1
SCHEMBL15338068 0.82 CYP2A6 (0.48) MAPKAPK2MEN1LMNAMAPTRAB9A
SCHEMBL19026507 0.82 PDCD1 (0.40) PTGS2MAPKAPK2MEN1APAF1NPC1
SCHEMBL25456048 0.80 ASIC3 (0.50) RXRARXRBRXRGPTGS2MAPKAPK2
SCHEMBL21023055 0.79 KIF11 (0.40) RXRARXRBMAPKAPK2CYP1A2CYP3A4
SCHEMBL16631453 0.79 TGFBR1 (0.40) TGFBR1NPC1LMNAMAPTHTT
SCHEMBL18545107 0.78 TGFBR1 (0.37) RXRARXRBRXRGPTGS2MAPKAPK2
SCHEMBL17234420 0.77 ATP1A1 (0.45) RXRARXRBRXRGMAPKAPK2CYP17A1
SCHEMBL14054103 0.76 ASIC3 (0.53) MAPKAPK2TGFBR1NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190157569-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-05-23 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 (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-20190157569-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, ICOSLG, ELAVL1 RXRA 2901/4885RXRB 3343/4885RXRG 3357/4885

“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.