SCHEMBL4869291

SCHEMBL4869291

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCAR3 P49019 3/20 0.45
MAPT P10636 4/20 0.44
KCNMA1 Q12791 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 2/20 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
SCHEMBL9474771 1.00 ALDH1A1 (0.56) ALDH1A1ATMTDP1HCAR3MAPT
SCHEMBL4868077 0.83 ALDH1A1 (0.47) ALDH1A1ATMTDP1HCAR3MAPT
SCHEMBL4863985 0.83 ALDH1A1 (0.47) ALDH1A1ATMTDP1HCAR3MAPT
SCHEMBL30135470 0.83 MAPT (0.58) ALDH1A1ATMTDP1HCAR3MAPT
SCHEMBL2975856 0.83 MAPT (0.58) ALDH1A1ATMTDP1HCAR3MAPT
SCHEMBL7668997 0.83 ALDH1A1 (0.56) ALDH1A1HCAR3MAPTKCNMA1HTT
SCHEMBL7173342 0.83 ALDH1A1 (0.56) ALDH1A1HCAR3MAPTKCNMA1HTT
SCHEMBL15822564 0.83 ALDH1A1 (0.56) ALDH1A1HCAR3MAPTCYP1A2CYP3A4
SCHEMBL6541574 0.83 ALDH1A1 (0.56) ALDH1A1HCAR3MAPTCYP1A2CYP3A4
SCHEMBL6541569 0.83 ALDH1A1 (0.56) ALDH1A1HCAR3MAPTCYP1A2CYP3A4

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 1051/4885ATM 3819/4885TDP1 4491/4885

“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.