SCHEMBL22178503

SCHEMBL22178503

CC1(C)c2ccccc2-c2ccc(-c3ccc4c5c6c7ccccc7n7c8cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc8c(c8c9ccccc9n(c4c3)c85)c67)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
FLT3 P36888 1/20 0.30
CHEK1 O14757 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
SCHEMBL22178705 0.92 PDK2 (0.33) PDK2FLT3
SCHEMBL22178498 0.87 PDK2 (0.34) PDK2
SCHEMBL20857776 0.86 PDK2 (0.32) PDK2
SCHEMBL21717853 0.84 PDK2 (0.35) PDK2
SCHEMBL17995055 0.83 ALOX5 (0.34)
SCHEMBL22178502 0.82 PDK2 (0.34) PDK2
SCHEMBL17994987 0.82 RXRA (0.34) PDK2RXRARXRB
SCHEMBL13508152 0.82 LIMK1 (0.38) PDK2RXRARXRB
SCHEMBL15460077 0.82 PDK2 (0.34) PDK2
SCHEMBL15460064 0.82 PDK2 (0.33) 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 PDK2 1284/4885RXRA 1144/4885RXRB 1315/4885

“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.