SCHEMBL21742679

SCHEMBL21742679

Cc1cccc2c1-c1ccc(-c3ccc4c(c3)sc3ccccc34)cc1C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAU P00749 1/20 0.37
SLC9A1 P19634 4/20 0.36
PDK2 Q15119 4/20 0.35
GPR3 P46089 1/20 0.34
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F9 P00740 1/20 0.33
ALOX5 P09917 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ALK Q9UM73 1/20 0.31
MCL1 Q07820 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
SCHEMBL21742802 0.93 SLC9A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21742533 0.86 ALOX5 (0.50) MAPTPLAUSLC9A1PDK2HTR7
SCHEMBL21742532 0.86 SLC9A1 (0.37) ALDH1A1MAPTPLAUSLC9A1PDK2
SCHEMBL20465201 0.85 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20017369 0.84 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25817888 0.84 ALDH1A1 (0.30) ALDH1A1HPGD
SCHEMBL17945023 0.83 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14727412 0.83 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10118601 0.82 MAPT (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15783816 0.82 PDK2 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR ALDH1A1 323/4885MAPT 2103/4885HPGD 1884/4885

“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.