SCHEMBL20927663

SCHEMBL20927663

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5oc5ccccc57)-c5ccc(Cl)cc5C6(C)C)ccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.34
▸ AHR P35869 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ TNKS O95271 1/20 0.32
▸ ALK Q9UM73 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ PGR P06401 2/20 0.30
▸ AKR1A1 P14550 1/20 0.30
▸ AKR1B1 P15121 1/20 0.30
▸ CDC14B O60729 1/20 0.30
▸ CDC14A Q9UNH5 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
SCHEMBL20927667 0.92 PDK2 (0.32) PDK2
SCHEMBL20205371 0.90 ALOX5 (0.37) PDK2ALOX5ALKPGRCDC14B
SCHEMBL21785826 0.90 AHR (0.35) AHRALOX5TNKSALKCA1
SCHEMBL23351580 0.89 ALOX5 (0.36) PDK2ALOX5ALKPGRCDC14B
SCHEMBL21785833 0.89 AHR (0.38) AHRTNKSALKCA1CA2
SCHEMBL22389277 0.89 PDK2 (0.34) PDK2AHRALOX5TNKSALK
SCHEMBL21533728 0.89 ALOX5 (0.34) PDK2ALOX5ALKPGRCDC14B
SCHEMBL20927728 0.88 GPR84 (0.33) AHRALOX5TNKSALKCA1
SCHEMBL20927650 0.88 MAOB (0.35) AHRTNKSALKCA1CA2
SCHEMBL20205729 0.87 ALOX5 (0.38) PDK2ALOX5ALKCDC14BCDC14A

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 3 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
WO-2019076789-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-04-25 — — WO 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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