SCHEMBL18463521

SCHEMBL18463521

CC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6-c6ccccc6C7(C)C)cc5)nc(-c5cccc6c5-c5ccccc5C6(C)C)n4)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.38
TSHR P16473 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL22059017 0.94 L3MBTL1 (0.42) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL31664377 0.94 L3MBTL1 (0.42) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL20405168 0.93 TSHR (0.40) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL17151622 0.93 TSHR (0.40) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL17151705 0.92 L3MBTL1 (0.41) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL17151617 0.92 L3MBTL1 (0.41) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL18878274 0.92 L3MBTL1 (0.41) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL18463295 0.92 L3MBTL1 (0.41) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL22059018 0.92 L3MBTL1 (0.41) PDK2TSHRADORA3ALOX15ADORA2A
SCHEMBL18463561 0.92 L3MBTL1 (0.41) PDK2TSHRADORA3ALOX15ADORA2A

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 4 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-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 (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-20180222872-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, NES, PIR PDK2 364/4885TSHR 4263/4885ADORA3 3618/4885

“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.