SCHEMBL23901713

SCHEMBL23901713

CC(C)c1ccc(OC(C)(C)C)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
PDE2A O00408 1/20 0.34
ALDH1A1 P00352 8/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23902048 0.85 ACHE (0.36) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL14654021 0.83 PDE2A (0.46) LMNAGABRA1GABRB2TRPA1PTGS1
SCHEMBL19122192 0.81 LMNA (0.42) LMNATRPA1ACHE
SCHEMBL11063120 0.79 LMNA (0.40) LMNAGABRA1GABRB2TRPA1PTGS1
SCHEMBL28606337 0.79 LMNA (0.40) LMNAGABRA1GABRB2TRPA1PTGS1
SCHEMBL11951562 0.79 HDAC4 (0.43) ALDH1A1TSHRSMN1; SMN2HDAC4HDAC8
SCHEMBL26422488 0.79 PDE2A (0.50) LMNATRPA1PTGS1CACNA1CPDE2A
SCHEMBL18355895 0.79 KCNH2 (0.41)
SCHEMBL739698 0.78 HDAC4 (0.48) ALDH1A1TSHRSMN1; SMN2HDAC4HDAC8
SCHEMBL19120979 0.77 ACHE (0.36) LMNATRPA1PTGS1CACNA1CALDH1A1

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 2726/4885GABRA1 2670/4885GABRB2 2415/4885

“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.