SCHEMBL25541902

SCHEMBL25541902

CC(Cc1ccc(C(C)(C)C)cc1)N(C)C1CCC(N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ EBP Q15125 1/20 0.39
▸ ACACB O00763 4/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CHIT1 Q13231 1/20 0.33
▸ CHIA Q9BZP6 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ COPS5 Q92905 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ HTR1D P28221 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
SCHEMBL25531098 0.92 TP53 (0.39) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25541883 0.92 TP53 (0.39) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25531126 0.87 SIGMAR1 (0.42) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25541868 0.86 TP53 (0.39) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25531101 0.85 TP53 (0.40) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25531089 0.82 SIGMAR1 (0.40) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25531115 0.82 SIGMAR1 (0.40) TP53TSHRSIGMAR1EBPACACB
SCHEMBL22255195 0.79 TSHR (0.38) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25541884 0.79 TSHR (0.38) TP53TSHRSIGMAR1EBPACACB
SCHEMBL25541756 0.77 HRH3 (0.49) SIGMAR1HDAC3HDAC8HDAC6KCNH2

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 TP53 4099/4885TSHR 4733/4885SIGMAR1 1380/4885

“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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