SCHEMBL25547481

SCHEMBL25547481

CC(C)c1cc(P)cc(P)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
FABP5 Q01469 1/20 0.34
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL26345761 0.94 GABRA1 (0.37) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL18948477 0.84 HTT (0.33) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL21882586 0.82 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4ALDH1A1
SCHEMBL20591161 0.80 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL22962011 0.77 TTR (0.34)
Boric Acid SCHEMBL28918370 0.77 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL338867 0.75 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL7296160 0.73 LMNA (0.37) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL26737161 0.73 ALDH1A1 (0.39) TRPA1ALDH1A1GAA
SCHEMBL18923652 0.73 HDAC4 (0.47) 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-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 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-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINA3, SERPINC1 GABRA1 2333/4885GABRB2 2872/4885FABP3 2422/4885

“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.