SCHEMBL6181606

SCHEMBL6181606

COc1c(F)c(C(=O)O)cc(F)c1N1CC(NC(=O)OC(C)(C)C)C2(CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
CRBN Q96SW2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TOP1 P11387 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL6181610 1.00 KCNH2 (0.33) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6183620 0.89 DRD2 (0.35) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL6183624 0.89 DRD2 (0.35) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL6184374 0.86 KDM4E (0.33) KDM4EALDH1A1DRD2DRD3LMNA
SCHEMBL6184376 0.86 KDM4E (0.33) KDM4EALDH1A1DRD2DRD3LMNA
SCHEMBL6184202 0.80 KDM4E (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6184197 0.80 KDM4E (0.47) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6184777 0.78 TOP1 (0.34) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6184781 0.78 TOP1 (0.34) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6184183 0.74 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10LMNACRBN

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-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD (JP) 2005-06-30 US disclosed
EP-1518856-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 EP 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-20050143407-A1 Process for porducing quinolonecarboxylic acid derivative PORCN, POR, COASY KCNH2 2106/4885KDM4E 3193/4885ALDH1A1 2180/4885

“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.