SCHEMBL24225596

SCHEMBL24225596

CC(C)COc1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KDM1A O60341 1/20 0.39
GRM2 Q14416 1/20 0.39
TLR8 Q9NR97 1/20 0.38
BRD4 O60885 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL21937370 0.85 ALDH1A1 (0.49) ALDH1A1GAAKDM1ATLR8BRD4
Hydrochloric Acid SCHEMBL5526375 0.84 LMNA (0.42) ALDH1A1GAAMAOA
Hydrochloric Acid SCHEMBL5526369 0.84 LMNA (0.42) ALDH1A1GAAMAOA
SCHEMBL20804977 0.83 FFAR1 (0.46) ALDH1A1GAATLR8
SCHEMBL10289878 0.83 ALDH1A1 (0.48) ALDH1A1GAAKDM1AGRM2TLR8
SCHEMBL765840 0.81 ALDH1A1 (0.42) ALDH1A1GAAKDM1AGRM2TLR8
SCHEMBL12388688 0.81 FFAR1 (0.44) ALDH1A1GAATLR8MAOAMAOB
SCHEMBL15057756 0.81 AAK1 (0.42) ALDH1A1GAAKDM1AGRM2TLR8
SCHEMBL20189994 0.80 ALDH1A1 (0.41) ALDH1A1GAAKDM1AGRM2TLR8
SCHEMBL10314839 0.80 L3MBTL1 (0.52) ALDH1A1GAAGRM2TLR8

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-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 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-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885GAA 184/4885KDM1A 3640/4885

“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.