SCHEMBL21094679

SCHEMBL21094679

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5oc6ccccc6c45)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.33
PDK2 Q15119 9/20 0.32
TNKS O95271 1/20 0.32
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL21094676 0.96 ALK (0.31) ALK
SCHEMBL21094628 0.96 ALK (0.31) ALK
SCHEMBL16124287 0.96 ALK (0.33) ALKPDK2TNKSPLA2G2APLA2G4A
SCHEMBL24388285 0.95 ALK (0.33) ALKTNKS
SCHEMBL21094724 0.93 ALK (0.36) ALKPDK2TNKSALOX5
SCHEMBL21094703 0.93 PDK2 (0.33) ALKPDK2PLA2G2APLA2G4A
SCHEMBL31504668 0.93 LPL (0.33) ALK
SCHEMBL24406537 0.93 LPL (0.33) ALK
SCHEMBL26278245 0.93 ALK (0.31) ALKPDK2TNKS
SCHEMBL22182384 0.92 PDK2 (0.34) ALKPDK2TNKSPLA2G2APLA2G4A

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-20190185460-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-20 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-20190185460-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, TYR, MAOB ALK 103/4885PDK2 2385/4885TNKS 2574/4885

“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.