SCHEMBL21742876

SCHEMBL21742876

Cc1cccc2c1-c1ccc(-c3cccc4oc5ccccc5c34)cc1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
ALOX5 P09917 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAOA P21397 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
PGR P06401 1/20 0.32
LMNA P02545 1/20 0.32
BACE1 P56817 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALK Q9UM73 4/20 0.32
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 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
SCHEMBL20277477 0.87 ALOX5 (0.39) PDK2ALOX5HPGDALDH1A1KDM4E
SCHEMBL20276868 0.87 ALOX5 (0.40) PDK2ALOX5HPGDALDH1A1KDM4E
SCHEMBL21742871 0.87 PDK2 (0.38) PDK2ALOX5HPGDALDH1A1KDM4E
SCHEMBL21742671 0.87 ALOX5 (0.50) PDK2ALOX5MAOAPGRALK
SCHEMBL21742875 0.87 PDK2 (0.38) PDK2ALOX5HPGDALDH1A1KDM4E
SCHEMBL21742674 0.87 HPGD (0.40) PDK2HPGDALDH1A1KDM4EMAOA
SCHEMBL21742873 0.87 MAOA (0.39) PDK2ALOX5HPGDALDH1A1KDM4E
SCHEMBL19011141 0.84 MAOB (0.38) PDK2ALOX5HPGDALDH1A1KDM4E
SCHEMBL19039169 0.82 TERT (0.32) ALOX5HPGDALDH1A1KDM4EGAA
SCHEMBL25741374 0.81 ALOX5 (0.32) ALOX5

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 PDK2 602/4885ALOX5 2532/4885HPGD 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.