SCHEMBL265288

SCHEMBL265288

CC(c1ccc(C(F)(F)F)cc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
PDE2A O00408 7/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KIF11 P52732 1/20 0.39
ACP3 P15309 1/20 0.39
FFAR1 O14842 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL5608985 0.82 GRIA4 (0.41) PDE2AAKR1C3AKR1C2KIF11FFAR1
SCHEMBL27744109 0.79 CES2 (0.44) FBP1PDE2AAKR1C3AKR1C2CES2
SCHEMBL18632149 0.78 L3MBTL1 (0.41) FBP1
SCHEMBL9341632 0.77 FBP1 (0.41) FBP1PDE2ACES2CES1CA1
SCHEMBL1983288 0.77 CA1 (0.43) FBP1PDE2ACES2CES1CA1
SCHEMBL17018447 0.75 ACHE (0.48) FBP1NPC1RAB9A
SCHEMBL4087041 0.74 ALDH1A1 (0.46) CA1CA2NPC1RAB9A
SCHEMBL264810 0.74 ADRB2 (0.46) FBP1
SCHEMBL27496184 0.74 HSD17B10 (0.52) CES1CA1CA2NPC1
SCHEMBL12983360 0.74 CYP1A2 (0.39)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 US disclosed
CN-116981657-A Fluorine-containing compound and contrast agent TDK株式会社 2023-10-31 CN disclosed
WO-2022196734-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK株式会社 2022-09-22 WO disclosed
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP 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 (3 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 FBP1 97/4885PDE2A 1515/4885AKR1C3 2280/4885
US-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 FBP1 1940/4885PDE2A 3641/4885AKR1C3 1187/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 FBP1 1940/4885PDE2A 3641/4885AKR1C3 1187/4885

“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.