SCHEMBL18463594

SCHEMBL18463594

CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR3 P46089 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ROCK1 Q13464 1/20 0.30
HSP90AA1 P07900 1/20 0.30
SLC9A1 P19634 1/20 0.30
CYP1A2 P05177 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
SCHEMBL23770505 0.98 PIM3 (0.36) PIM3ALOX5ROCK1SLC9A1CYP1A2
SCHEMBL22987011 0.94 SLC9A1 (0.34) PIM3ALOX5GPR3L3MBTL1ALDH1A1
SCHEMBL20465226 0.93 ALDH1A1 (0.33) ALOX5GPR3L3MBTL1ALDH1A1POLB
SCHEMBL19039172 0.92 PIM3 (0.33) PIM3ALOX5ALDH1A1MAPTROCK1
SCHEMBL25050514 0.90 ALOX5 (0.40) ALOX5L3MBTL1MAPT
SCHEMBL23770461 0.90 PDK2 (0.36) ALDH1A1MAPTCYP1A2
SCHEMBL23770398 0.89 F9 (0.33) PIM3ALOX5ALDH1A1MAPTSLC9A1
SCHEMBL23770501 0.89 ALOX5 (0.39) PIM3ALOX5ROCK1SLC9A1
SCHEMBL22352501 0.89 PIM3 (0.31) PIM3
SCHEMBL23770394 0.89 CYP1A2 (0.40) ALDH1A1MAPTCYP1A2

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
EP-3328841-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-10-11 EP disclosed
US-20230123170-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2023-04-20 US disclosed
US-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
WO-2017016630-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-02 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-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, NES, PIR PIM3 1680/4885ALOX5 3023/4885GPR3 3423/4885
US-20230123170-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND L1CAM, LEF1, CCNL2 PIM3 2284/4885ALOX5 1852/4885GPR3 2904/4885

“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.