SCHEMBL25530939

SCHEMBL25530939

CC(Cc1ccc(C(C)(C)C)cc1)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ACACB O00763 5/20 0.51
▸ GRIA4 P48058 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ EBP Q15125 1/20 0.41

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
SCHEMBL23986713 0.82 TAAR1 (0.59) TP53TSHRACACBSLC6A3SIGMAR1
SCHEMBL8260628 0.81 TAAR1 (0.52) TSHRCACNA1FCHRM2CHRM1ADRA2B
SCHEMBL25530544 0.81 CYP1A2 (0.61) TP53TSHRACACBGRIA4SIGMAR1
SCHEMBL7120636 0.79 SIGMAR1 (0.61) TP53TSHRACACBGRIA4ADRA1A
SCHEMBL21089947 0.78 SLC6A4 (0.55) ACACBSIGMAR1CYP1A2CYP2D6SLC6A4
SCHEMBL547420 0.77 TSHR (0.62) TP53TSHRACACBGRIA4SIGMAR1
SCHEMBL13471457 0.75 ACACB (0.50) TP53TSHRACACBGRIA4SIGMAR1
SCHEMBL28543756 0.74 ALDH1A1 (0.57) TP53TSHRACACB
SCHEMBL9293644 0.74 TP53 (0.46) TP53TSHRACACBGRIA4SIGMAR1
SCHEMBL4875435 0.74 SLC6A4 (0.58) TP53TSHRSLC6A3SIGMAR1TAAR1

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 TP53 4099/4885TSHR 4733/4885ACACB 2485/4885

“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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