SCHEMBL25814650

SCHEMBL25814650

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL18468985 0.97 HSP90AA1 (0.30) ALKHSP90AA1HSP90AB1
SCHEMBL25814797 0.97 ALK (0.31) ALK
SCHEMBL25814726 0.97 ALK (0.31) ALK
SCHEMBL25814893 0.95
SCHEMBL25145464 0.94 ALK (0.32) ALKHSP90AA1HSP90AB1
SCHEMBL25813476 0.94 ALK (0.35) ALKHSP90AA1HSP90AB1
SCHEMBL25814181 0.94 ALK (0.35) ALKHSP90AA1HSP90AB1
SCHEMBL20346026 0.93 ALK (0.32) ALKHSP90AA1HSP90AB1
SCHEMBL20345961 0.92 ALK (0.33) ALKHSP90AA1HSP90AB1
SCHEMBL17854494 0.92 KDM4E (0.31) HSP90AA1HSP90AB1

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-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-13 US disclosed
US-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-13 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-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES SELE, EPHA6, EPX ALK 3126/4885HSP90AA1 3131/4885HSP90AB1 4081/4885

“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.