SCHEMBL24433016

SCHEMBL24433016

CC1(C)c2ccccc2-c2ccc(-c3cc4ccccc4cc3N)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.38
▸ DHFR P00374 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL783001 0.85 ALDH1A1 (0.45) PDK2DHFRALOX5APFEN1ADORA3
SCHEMBL30595509 0.82 PDK2 (0.46) PDK2SLC6A2SLC6A4
SCHEMBL27864761 0.81 LPL (0.44) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL2965864 0.80 PDK2 (0.43) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL2961760 0.80 PDK2 (0.45) PDK2SLC6A2SLC6A4
SCHEMBL21588650 0.80 ALDH1A1 (0.40) PDK2DHFRALOX5APFEN1ADORA3
SCHEMBL1649136 0.80 PDK2 (0.47) PDK2
SCHEMBL18419419 0.79 PDK2 (0.39) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL15405826 0.79 PDK2 (0.38) PDK2DHFRALOX5APFEN1
SCHEMBL15946066 0.79 PDK2 (0.47) PDK2

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-20220158095-A1 Compound, Organic Electroluminescent Device Containing Same and Application Thereof BEIJING ETERNAL MAT TECH CO LTD (CN) 2022-05-19 — — 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-20220158095-A1 Compound, Organic Electroluminescent Device Containing Same and Application Thereof OR10J3, PIEZO1, TRPM8 PDK2 942/4885DHFR 1204/4885ALOX5AP 2195/4885

“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.

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