SCHEMBL4869504

SCHEMBL4869504

CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.55
ALDH1A1 P00352 7/20 0.55
RECQL P46063 1/20 0.55
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.48
KCNMA1 Q12791 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL4867742 1.00 HCAR3 (0.55) HCAR3ALDH1A1RECQLGAAMAPT
SCHEMBL4869513 1.00 HCAR3 (0.55) HCAR3ALDH1A1RECQLGAAMAPT
SCHEMBL4868077 0.89 ALDH1A1 (0.47) HCAR3ALDH1A1RECQLGAAMAPT
SCHEMBL4863985 0.89 ALDH1A1 (0.47) HCAR3ALDH1A1RECQLGAAMAPT
SCHEMBL8742128 0.86 CRHBP (0.56) HCAR3ALDH1A1GAAMAPTMAPK1
SCHEMBL4301791 0.86 CRHBP (0.56) HCAR3ALDH1A1GAAMAPTMAPK1
SCHEMBL4869095 0.85 HCAR3 (0.54) HCAR3ALDH1A1RECQLGAAMAPT
SCHEMBL14764687 0.83 MEN1 (0.57) HCAR3ALDH1A1MAPTMAPK1KMT2A
SCHEMBL28745633 0.83 MAPT (0.70) HCAR3ALDH1A1GAAMAPTKCNMA1
SCHEMBL28062163 0.82 KMT2A (0.53) HCAR3ALDH1A1GAAMAPTMAPK1

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-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 HCAR3 57/4885ALDH1A1 1051/4885RECQL 4789/4885

“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.