SCHEMBL6804299

SCHEMBL6804299

CC(C)COC(=O)N1C=CC(c2ccccc2)C=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.46
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
ADAM10 O14672 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
PPARG P37231 1/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37

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
SCHEMBL6802919 0.85 GAA (0.47) ALDH1A1TSHRLMNA
SCHEMBL1196033 0.70 PPARG (0.50) P2RX4ALDH1A1TSHRCACNA1FCACNA1D
SCHEMBL4439254 0.67 PPARG (0.53) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL9200215 0.66 RAB9A (0.55) P2RX4ALDH1A1TSHRADAM10MMP2
SCHEMBL3421781 0.66 P2RX4 (0.37) P2RX4ALDH1A1TSHRCACNA1FCACNA1D
SCHEMBL22327677 0.65 HHAT (0.62) CACNA1FCACNA1DCACNA1SCACNA1CCHRM2
SCHEMBL9721811 0.65 MAPK1 (0.51) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL1196044 0.65 PPARG (0.48) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.64 TSHR (0.69) ALDH1A1TSHRRAB9ANPC1PLA2G1B
Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 0.64 TSHR (0.69) ALDH1A1TSHRRAB9ANPC1PLA2G1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762303-B2 OXIDIZING A DIHYDROPYRIDINE COMPOUND IN THE PRESENCE OF NITROUS ACID OR A NITRITE OR A BASE AND HYDROGEN PEROXIDE SOLUTION FUJI PHOTO FILM CO., LTD. (JP) 2004-07-13 US disclosed
US-20020065420-A1 Method for producing pyridine compounds FUJIFILM CORPORATION (JP) 2002-05-30 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-20020065420-A1 Method for producing pyridine compounds NOX1, NOX5, NOX4 P2RX4 968/4885ALDH1A1 162/4885TSHR 2446/4885

“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.