SCHEMBL25530539

SCHEMBL25530539

CCN(CCc1ccc(C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.51
▸ ESRRG P62508 5/20 0.44
▸ LMNA P02545 1/20 0.42
▸ SIGMAR1 Q99720 5/20 0.39
▸ GRIA4 P48058 1/20 0.38
▸ SLC13A5 Q86YT5 2/20 0.37
▸ DAO P14920 1/20 0.37
▸ ESRRB O95718 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL12891086 0.81 KCNH2 (0.55) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL13966087 0.81 KCNH2 (0.42) KCNH2LMNASIGMAR1TP53TSHR
SCHEMBL19122050 0.81 AOC3 (0.55) KCNH2SIGMAR1ADRA2AADRA1A
SCHEMBL12891007 0.79 KCNH2 (0.58) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL25530538 0.77 KCNH2 (0.59) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL797701 0.76 KCNH2 (0.75) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL25532732 0.75 KCNH2 (0.49) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL7456580 0.75 KCNH2 (0.59) KCNH2ESRRGLMNASIGMAR1GRIA4
Bromide SCHEMBL13275917 0.75 KCNH2 (0.72) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL25530556 0.74 KCNH2 (0.43) KCNH2ESRRGLMNASIGMAR1TP53

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 KCNH2 1953/4885ESRRG 3236/4885LMNA 3813/4885

“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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