SCHEMBL6853751

SCHEMBL6853751

O=C(O)CCN(C(=O)OCc1ccccc1)c1cccc[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL6859257 0.93 HTT (0.43) HTTCCR6PAX8SLC2A1ALDH1A1
SCHEMBL6094085 0.86 CCR6 (0.43) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL6560598 0.73 HTT (0.54) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL31629174 0.73 CCR6 (0.62) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL5290897 0.72 HTT (0.44) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL7405570 0.71 HTT (0.51) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL164180 0.71 ALDH1A1 (0.51) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL8043858 0.71 HTT (0.51) HTTCCR6PAX8ALDH1A1MAPK1
SCHEMBL2195997 0.70 CCR6 (0.55) HTTCCR6PAX8ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7216444 0.70 HTT (0.50) HTTCCR6PAX8ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 HTT 4868/4885CCR6 2260/4885PAX8 4093/4885

“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.