SCHEMBL4868077

SCHEMBL4868077

CCC(Nc1cc(F)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
RECQL P46063 1/20 0.47
HCAR3 P49019 4/20 0.46
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL4863985 1.00 ALDH1A1 (0.47) ALDH1A1RECQLHCAR3ATMTDP1
SCHEMBL4867742 0.89 HCAR3 (0.55) ALDH1A1RECQLHCAR3TDP1MAPT
SCHEMBL4869504 0.89 HCAR3 (0.55) ALDH1A1RECQLHCAR3TDP1MAPT
SCHEMBL4869513 0.89 HCAR3 (0.55) ALDH1A1RECQLHCAR3TDP1MAPT
SCHEMBL7802701 0.87 ALDH1A1 (0.53) ALDH1A1RECQLHCAR3ATMTDP1
SCHEMBL17673301 0.86 NPSR1 (0.50) ALDH1A1RECQLHCAR3MAPTHTT
SCHEMBL4870077 0.85 HCAR3 (0.45) ALDH1A1RECQLHCAR3MAPTHTT
SCHEMBL9474771 0.83 ALDH1A1 (0.56) ALDH1A1RECQLHCAR3ATMTDP1
SCHEMBL4869291 0.83 ALDH1A1 (0.56) ALDH1A1RECQLHCAR3ATMTDP1
SCHEMBL28062163 0.82 KMT2A (0.53) ALDH1A1HCAR3TDP1MAPTGAA

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 ALDH1A1 1051/4885RECQL 4789/4885HCAR3 57/4885

“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.