SCHEMBL21349995

SCHEMBL21349995

Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c3c(c4oc5ccccc5c4c1-2)-c1ccccc1C3(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.37
ALOX5 P09917 2/20 0.34
PDK2 Q15119 1/20 0.33
IGF1R P08069 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 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
SCHEMBL21794251 0.93 AHR (0.33) AHRALOX5PDK2MAPTMAOA
SCHEMBL21343399 0.93 AHR (0.33) AHRALOX5PDK2MAPT
SCHEMBL21785388 0.93 AHR (0.33) AHRALOX5PDK2MAPT
SCHEMBL21350244 0.90 AHR (0.35) AHRALOX5IGF1RMAPK1SMN1; SMN2
SCHEMBL21343244 0.89 ALOX5 (0.35) ALOX5SMN1; SMN2MAPTMAOACDC14B
SCHEMBL21349994 0.86 AHR (0.32) AHR
SCHEMBL21343243 0.83 AHR (0.38) AHRALOX5PDK2IGF1RMAPK1
SCHEMBL21343398 0.83 AHR (0.38) AHRALOX5PDK2IGF1RMAPK1
SCHEMBL21343242 0.82 NMUR2 (0.34) ALOX5MAPTGABRPGABRDGABRA1
SCHEMBL27402738 0.82 ALOX5 (0.33) ALOX5PDK2MAPK1SMN1; SMN2MAPT

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-3844242-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-22 EP disclosed
US-20220140248-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-05 US disclosed
US-20210005821-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
WO-2020043640-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-03-05 WO disclosed
WO-2019170572-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-12 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-20210005821-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885ALOX5 1831/4885PDK2 1024/4885
US-20220140248-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM AHR 3734/4885ALOX5 1831/4885PDK2 1024/4885

“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.