SCHEMBL4898796

SCHEMBL4898796

C=C(C(=O)O)C(=O)Oc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PPOX P50336 1/20 0.43
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
MC4R P32245 1/20 0.38
KIF11 P52732 1/20 0.38
CHEK1 O14757 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL3903976 0.77 KIF11 (0.51) MEN1KMT2ATDP1ALDH1A1KIF11
SCHEMBL4596411 0.76 CYP11B1 (0.51) TTRMEN1KMT2ATDP1PPOX
SCHEMBL6224988 0.76 MAPT (0.46) TTRMEN1KMT2ATDP1PPOX
SCHEMBL4890673 0.73 CYP11B1 (0.50) CYP11B1CYP11B2ALDH1A1CHEK1MAPT
SCHEMBL4594989 0.72 TTR (0.52) TTRMEN1KMT2ATDP1AKR1B1
SCHEMBL4596709 0.72 CYP11B1 (0.47) TTRMEN1KMT2ATDP1PPOX
SCHEMBL4596153 0.72 TTR (0.41) TTRMEN1KMT2ATDP1PPOX
SCHEMBL3900786 0.72 TDP1 (0.55) TTRMEN1KMT2ATDP1ALDH1A1
SCHEMBL6224986 0.71 AKR1B1 (0.51) TTRMEN1KMT2ATDP1PPOX
SCHEMBL6538199 0.71 MAPT (0.52) MEN1KMT2AAKR1B1AKR1C4AKR1C3

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 1 patent. 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

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 3816/4885MEN1 1507/4885KMT2A 2023/4885

“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.