SCHEMBL25541885

SCHEMBL25541885

CC(Cc1ccc(C(C)(C)C)cc1)NCC1CNC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.50
▸ ACACB O00763 7/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EBP Q15125 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ SLC6A4 P31645 2/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ NAAA Q02083 1/20 0.34

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
SCHEMBL25531118 0.84 SIGMAR1 (0.59) SIGMAR1ACACBTP53TSHREBP
SCHEMBL22254880 0.84 SIGMAR1 (0.54) SIGMAR1ACACBTSHRSLC6A4
SCHEMBL25531107 0.83 SIGMAR1 (0.50) SIGMAR1ACACBTP53TSHREBP
SCHEMBL25531103 0.83 SIGMAR1 (0.50) SIGMAR1ACACBTP53TSHREBP
SCHEMBL25541872 0.82 SIGMAR1 (0.49) SIGMAR1ACACBTP53TSHREBP
SCHEMBL25541877 0.82 SIGMAR1 (0.49) SIGMAR1ACACBTP53TSHREBP
SCHEMBL25531149 0.77 SIGMAR1 (0.47) SIGMAR1ACACBTP53TSHREBP
SCHEMBL25541750 0.76 EPHX2 (0.44) KCNH2CACNA1I
SCHEMBL7120636 0.75 SIGMAR1 (0.61) SIGMAR1ACACBTP53TSHREBP
SCHEMBL25541887 0.73 TP53 (0.41) SIGMAR1ACACBTP53TSHREBP

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 1380/4885ACACB 2485/4885TP53 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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