SCHEMBL23901710

SCHEMBL23901710

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
PDK2 Q15119 1/20 0.32
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
PDE2A O00408 1/20 0.30
FABP3 P05413 1/20 0.30
FABP4 P15090 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
SCHEMBL23902035 0.87 ALDH1A1 (0.33) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL18720486 0.80 LMNA (0.43) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL18720499 0.77 GABRA1 (0.36) GAAHIF1ALMNAGABRA1GABRB2
SCHEMBL7063441 0.75 ALOX12 (0.34) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL7064997 0.73 LMNA (0.35) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL23902126 0.73 LMNA (0.42) ALDH1A1GAAALOX12LMNATRPA1
SCHEMBL23901712 0.73 ALDH1A1 (0.38) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL22242836 0.73 LMNA (0.41) ALDH1A1GAAHTTHIF1ALMNA
SCHEMBL12248238 0.72 ALOX12 (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL20738232 0.71 ATM (0.39) ALDH1A1ALOX12HTTPDK2

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 ALDH1A1 4745/4885GAA 885/4885ALOX12 2292/4885

“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.