SCHEMBL23902124

SCHEMBL23902124

CC(C)c1ccc(C(C)C)c(SC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.34
PDK2 Q15119 1/20 0.34
POLB P06746 1/20 0.34
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
HTR2A P28223 2/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RNASEH1 O60930 1/20 0.31
PTPN5 P54829 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL23901705 0.85 ALDH1A1 (0.38) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL18720477 0.81 PDE2A (0.44) PDE2AGAAALDH1A1ALOX12HTT
SCHEMBL23902132 0.81 LMNA (0.46) GAAALOX12LMNATRPA1HTR2A
SCHEMBL12040953 0.80 PDE2A (0.37) PDE2AGAAALDH1A1ALOX12HTT
SCHEMBL23902033 0.79 ALDH1A1 (0.34) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL13939896 0.78 PDE2A (0.59) PDE2A
SCHEMBL12828105 0.78 LMNA (0.42) PDE2AGAAALDH1A1ALOX12HTT
SCHEMBL23902035 0.77 ALDH1A1 (0.33) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL12828160 0.76 PDE2A (0.40) PDE2AGAAALDH1A1ALOX12HTT
SCHEMBL9909702 0.76 CRHR1 (0.42) GAAALDH1A1ALOX12HTTHIF1A

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 PDE2A 715/4885GAA 885/4885ALDH1A1 4745/4885

“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.