SCHEMBL6802919

SCHEMBL6802919

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 3/20 0.46
SIRT3 Q9NTG7 3/20 0.45
BRD4 O60885 1/20 0.44
ADORA3 P0DMS8 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6804299 0.85 P2RX4 (0.46) TSHRALDH1A1LMNA
SCHEMBL27296626 0.74 KDM4E (0.47) GAAKDM4ETSHRSIRT3BRD4
SCHEMBL13212880 0.74 ALDH1A1 (0.42) GAAKDM4ETSHRSIRT3BRD4
SCHEMBL1966607 0.73 TSHR (0.45) GAAKDM4ETSHRADORA3ALDH1A1
SCHEMBL3623069 0.72 TSHR (0.44) GAAKDM4ETSHRADORA3ALDH1A1
SCHEMBL16334539 0.71 TSHR (0.47) GAAKDM4ETSHRSIRT3BRD4
SCHEMBL10607021 0.71 TSHR (0.43) GAAKDM4ETSHRADORA3ALDH1A1
SCHEMBL18828597 0.69 MAOA (0.50) GAAKDM4ETSHRBRD4MAOA
SCHEMBL6948834 0.69 GAA (0.33) GAATSHRALDH1A1MEN1KMT2A
SCHEMBL20160512 0.69 TSHR (0.51) GAAKDM4ETSHRSIRT3BRD4

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 GAA 1781/4885KDM4E 2650/4885TSHR 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.