SCHEMBL21742799

SCHEMBL21742799

Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
GPR3 P46089 1/20 0.40
F9 P00740 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
SLC9A1 P19634 3/20 0.37
PIM3 Q86V86 1/20 0.36
PLAU P00749 1/20 0.36
HTR7 P34969 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ROCK1 Q13464 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
SCHEMBL21742514 0.91 ALDH1A1 (0.45) ALOX5GPR3F9ALDH1A1MAPT
SCHEMBL21742850 0.85 ALOX5 (0.44) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL17902001 0.85 ALOX5 (0.40) ALOX5GPR3F9ALDH1A1MAPT
SCHEMBL16802063 0.85 GPR3 (0.48) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL27388000 0.84 ALOX5 (0.46) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL21742861 0.84 ALOX5 (0.46) ALOX5GPR3F9ALDH1A1MAPT
SCHEMBL27018487 0.83 ALOX5 (0.43) ALOX5GPR3F9ALDH1A1MAPT
SCHEMBL21388987 0.82 ALOX5 (0.48) ALOX5GPR3F9ALDH1A1MAPT
SCHEMBL21742797 0.82 GPR3 (0.45) ALOX5GPR3ALDH1A1MAPTHPGD
SCHEMBL23427495 0.82 HPGD (0.41) GPR3F9ALDH1A1MAPTHPGD

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 ALOX5 2532/4885GPR3 3474/4885F9 2752/4885

“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.