SCHEMBL25530557

SCHEMBL25530557

CC(C)(C)c1ccc(CN(CC2CC2)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ ADRA2A P08913 2/20 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
▸ CYP2D6 P10635 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL17885999 0.83 TAS2R14 (0.41) SLC6A2SLC6A4
SCHEMBL12891100 0.81 EP300 (0.47) HDAC8HDAC3HDAC6SIGMAR1KCNH2
SCHEMBL25530551 0.78 ADRA2A (0.42) HDAC8ADRA2AADRA2BADRA2CADRA1D
SCHEMBL13966087 0.77 KCNH2 (0.42) HDAC8HDAC3HDAC6SIGMAR1KCNH2
SCHEMBL25530554 0.76 SLC6A4 (0.39) HDAC8HDAC3HDAC6ADRA2AADRA2B
SCHEMBL25531036 0.75 EP300 (0.45) HDAC8HDAC3HDAC6SIGMAR1KCNH2
SCHEMBL17886007 0.74 SLC6A2 (0.49) SLC6A2HTR2ASLC6A4
SCHEMBL25530556 0.74 KCNH2 (0.43) SIGMAR1KCNH2ADRA2AADRA2BADRA2C
SCHEMBL25530562 0.73 HDAC8 (0.33) HDAC8KCNH2ADRA2AADRA2BADRA2C
SCHEMBL25531037 0.73 HRH3 (0.41) HDAC8HDAC3HDAC6ADRA2AADRA2B

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-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
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 HDAC8 1798/4885HDAC3 1149/4885HDAC6 485/4885

“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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