SCHEMBL25541871

SCHEMBL25541871

CCN(C(C)Cc1ccc(C(C)(C)C)cc1)C1CCC(CN)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ EBP Q15125 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ PLG P00747 3/20 0.33
▸ PRSS1 P07477 3/20 0.33
▸ PRSS2 P07478 3/20 0.33
▸ PRSS3 P35030 3/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ REN P00797 5/20 0.32
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL25531102 0.90 TSHR (0.39) TP53TSHREBPSIGMAR1ACACB
SCHEMBL25541868 0.85 TP53 (0.39) TP53TSHREBPSIGMAR1ACACB
SCHEMBL22255195 0.82 TSHR (0.38) TP53TSHREBPSIGMAR1ACACB
SCHEMBL25541884 0.82 TSHR (0.38) TP53TSHREBPSIGMAR1ACACB
SCHEMBL25531116 0.81 SIGMAR1 (0.39) TP53TSHREBPSIGMAR1ACACB
SCHEMBL25531101 0.75 TP53 (0.40) TP53TSHREBPSIGMAR1ACACB
SCHEMBL25541866 0.73 SLC6A4 (0.52) TP53TSHREBPSIGMAR1ACACB
SCHEMBL25541902 0.71 TP53 (0.41) TP53TSHREBPSIGMAR1ACACB
SCHEMBL11599527 0.71 SIGMAR1 (0.42) TP53TSHREBPSIGMAR1ACACB
SCHEMBL22255035 0.70 HRH4 (0.36) TSHRACACBSLC6A4EPHX1

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 4733/4885EBP 1039/4885

“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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