SCHEMBL22389277

SCHEMBL22389277

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7oc8ccccc8c57)-c5cc7c(cc5C6(C)C)-c5ccc(Cl)cc5C7(C)C)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ AHR P35869 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ ALK Q9UM73 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
SCHEMBL20205549 0.93 ALOX5 (0.36) PDK2ALOX5PGRALK
SCHEMBL20205722 0.92 ALOX5 (0.37) PDK2ALOX5PGRALK
SCHEMBL20927663 0.89 PDK2 (0.34) PDK2AHRALOX5TNKSPGR
SCHEMBL20205294 0.89 ALOX5 (0.34) ALOX5ALK
SCHEMBL20205723 0.88 ALOX5 (0.36) ALOX5PGRALK
SCHEMBL24649657 0.88 ALOX5 (0.37) ALOX5ALK
SCHEMBL20205293 0.88 ALOX5 (0.34) ALOX5PGRALK
SCHEMBL20927712 0.87 — —
SCHEMBL21790975 0.87 — —
SCHEMBL20205664 0.86 ALOX5 (0.38) PDK2ALOX5ALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578063-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-03 — — 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 (2 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-20200277284-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM PDK2 1024/4885AHR 3734/4885ALOX5 1831/4885
US-11578063-B2 Materials for organic electroluminescent devices GPX1, EPCAM, EFNA1 PDK2 965/4885AHR 3617/4885ALOX5 2670/4885

“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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