SCHEMBL25580587

SCHEMBL25580587

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c3cccc4ccccc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
PDK2 Q15119 2/20 0.31
SIGMAR1 Q99720 1/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 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
SCHEMBL25580878 0.95 PDK2 (0.32) PDK2SIGMAR1
SCHEMBL25580245 0.94
SCHEMBL24839858 0.94 DHFR (0.31) PDK2SIGMAR1
SCHEMBL25580369 0.93 MCL1 (0.33) CRHR1MCL1ACMSD
SCHEMBL25579111 0.93 MCL1 (0.34) CRHR1MCL1ACMSD
SCHEMBL25580741 0.92 MCL1 (0.35) GPR84MCL1ACMSD
SCHEMBL18650196 0.92 PDK2 (0.34) CRHR1PDK2SIGMAR1MCL1ACMSD
SCHEMBL25579115 0.92 CA12 (0.35) CRHR1MCL1ACMSD
SCHEMBL17917883 0.91 CA12 (0.33) CRHR1PDK2SIGMAR1MCL1ACMSD
SCHEMBL17917956 0.91 CA12 (0.33) CRHR1PDK2SIGMAR1MCL1ACMSD

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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 US disclosed
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 CRHR1 2237/4885GPR84 2791/4885PDK2 3173/4885

“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.