SCHEMBL25813741

SCHEMBL25813741

CC1(C)c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(C)C)cc3)cc2-c2ccc(-c3ccccc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F9 P00740 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
SCHEMBL25813815 0.97 ALK (0.30) ALK
SCHEMBL21446667 0.95 ALK (0.32) ALKPDK2ALDH1A1MAPTHPGD
SCHEMBL25813519 0.95 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25814215 0.95 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25813728 0.94 ALK (0.31) ALKPDK2
SCHEMBL25813587 0.94 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23376130 0.94 ALK (0.30) ALK
SCHEMBL23376473 0.94 ALK (0.30) ALK
SCHEMBL25814302 0.93 ALDH1A1 (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23375937 0.92 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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 3126/4885PDK2 1021/4885ALDH1A1 1837/4885

“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.