SCHEMBL4596863

SCHEMBL4596863

O=[N+]([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ATM Q13315 1/20 0.40
PTGES O14684 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KIF11 P52732 3/20 0.40

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
SCHEMBL4897531 0.93 TTR (0.39) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL25354221 0.90 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4HPGDALOX15
SCHEMBL16959467 0.88 ALDH1A1 (0.46) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL4596164 0.85 ALDH1A1 (0.42) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL4596487 0.85 TDP1 (0.41) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL4596621 0.82 ALDH1A1 (0.44) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL11208124 0.82 MEN1 (0.47) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL4594989 0.80 TTR (0.52) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL3900786 0.80 TDP1 (0.55) TTRALDH1A1TDP1CYP3A4HPGD
SCHEMBL4596441 0.79 L3MBTL1 (0.42) TTRALDH1A1TDP1CYP3A4HPGD

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 TTR 3816/4885ALDH1A1 2274/4885TDP1 879/4885

“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.