SCHEMBL23902126

SCHEMBL23902126

Cc1ccc(C(C)C)c(SCC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LIPE Q05469 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23902035 0.83 ALDH1A1 (0.33) LMNATRPA1GAAALOX12ALDH1A1
SCHEMBL17811805 0.79 L3MBTL1 (0.41) LMNABCHEACHELIPEMEN1
SCHEMBL23902132 0.77 LMNA (0.46) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18720499 0.77 GABRA1 (0.36) LMNASLC6A2HTR2BGAAHPGD
SCHEMBL20220189 0.76 PDK1 (0.35) LMNABCHEACHELIPEMEN1
SCHEMBL28149572 0.75 LMNA (0.40) LMNABCHEACHELIPEMEN1
SCHEMBL18720488 0.75
SCHEMBL15035948 0.74 LMNA (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL23901710 0.73 ALDH1A1 (0.33) LMNATRPA1GAAALOX12ALDH1A1
SCHEMBL18720478 0.72 HTR2A (0.30) HTR2B

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 LMNA 2726/4885TRPA1 3640/4885CHRM1 4351/4885

“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.