SCHEMBL25577613

SCHEMBL25577613

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
PGR P06401 1/20 0.30
HCRTR1 O43613 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL25577979 0.96 ALK (0.35) ALKPGRKDM4EMEN1ALDH1A1
SCHEMBL24841233 0.94 ALK (0.33) ALKMMP12MMP13PGRHCRTR1
SCHEMBL24841126 0.94 ALK (0.33) ALKPGRKDM4EMEN1ALDH1A1
SCHEMBL27018045 0.94 ALK (0.32) ALKMMP12MMP13KDM4EMEN1
SCHEMBL25577229 0.94 ALK (0.33) ALKPGRKDM4EMEN1ALDH1A1
SCHEMBL25578990 0.94 MMP12 (0.32) MMP12MMP13KDM4EMEN1ALDH1A1
SCHEMBL27017885 0.93 HCRTR1 (0.32) MMP12MMP13HCRTR1KDM4EMEN1
SCHEMBL25577967 0.93 ALK (0.33) ALKPGRHCRTR1KDM4EMEN1
SCHEMBL25577986 0.93 ALK (0.33) ALKPGRMEN1KMT2A
SCHEMBL25577886 0.93 ALK (0.35) ALKPGRKDM4EMEN1ALDH1A1

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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, L1CAM, ESR2 ALK 1323/4885MMP12 3690/4885MMP13 4069/4885

“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.