SCHEMBL25531089

SCHEMBL25531089

CC(Cc1ccc(C(C)(C)C)cc1)N(C)C1CC[C@@H](C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.40
▸ EBP Q15125 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TRPV1 Q8NER1 3/20 0.39
▸ ACACB O00763 4/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SLC6A4 P31645 1/20 0.32
▸ FASN P49327 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL25531115 1.00 SIGMAR1 (0.40) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25531126 0.92 SIGMAR1 (0.42) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25541883 0.85 TP53 (0.39) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25531098 0.85 TP53 (0.39) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25531116 0.84 SIGMAR1 (0.39) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25541902 0.82 TP53 (0.41) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25531101 0.81 TP53 (0.40) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25541868 0.80 TP53 (0.39) SIGMAR1EBPTP53TSHRTRPV1
SCHEMBL25531039 0.77 HRH3 (0.44) SIGMAR1TRPV1HDAC3HDAC8HDAC6
SCHEMBL25531104 0.74 SIGMAR1 (0.41) SIGMAR1EBPTP53TSHRACACB

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 SIGMAR1 1380/4885EBP 1039/4885TP53 4099/4885

“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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