SCHEMBL7121373

SCHEMBL7121373

CC(C)=CCOc1c(C(C)C)c(=O)[nH]c2ccc(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GHSR Q92847 1/20 0.36
CYP1B1 Q16678 2/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
ABCB1 P08183 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
SCHEMBL7123716 0.82 KDM4E (0.38) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL7119320 0.80 PGR (0.40) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL7114952 0.76 PARP15 (0.40) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL7114921 0.74 DAO (0.46) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL7116235 0.74 MPO (0.37) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL7114083 0.69 KDM4E (0.36) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL7115553 0.68 PARP15 (0.37) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL7114063 0.68 GSK3B (0.47) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL7988248 0.66 PARP1 (0.40) ALDH1A1KDM4EGAACYP1B1LMNA
SCHEMBL8001212 0.65 ALDH1A1 (0.36) ALDH1A1KDM4EGAACYP1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US claimed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP claimed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO 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-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 ALDH1A1 1742/4885KDM4E 3240/4885GABRA1 3030/4885

“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.