SCHEMBL7489676

SCHEMBL7489676

CC(C)(CF)n1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 8/20 0.44
HPGD P15428 7/20 0.44
HSD17B10 Q99714 6/20 0.44
LMNA P02545 5/20 0.44
TSHR P16473 2/20 0.44
BRD4 O60885 1/20 0.44
HTT P42858 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.41
TOP1 P11387 1/20 0.40
CYP1A2 P05177 2/20 0.40
RAB9A P51151 1/20 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
SCHEMBL7608724 0.90 ALDH1A1 (0.46) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7845387 0.89 ALDH1A1 (0.46) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7846325 0.85 ALDH1A1 (0.44) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7491803 0.85 ALDH1A1 (0.44) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL8922894 0.83 KMT2A (0.61) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7489681 0.83 KMT2A (0.39) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL8083191 0.79 KEAP1 (0.43) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL27976888 0.78 ALDH1A1 (0.41) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL3812812 0.78 ALDH1A1 (0.43) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL9381103 0.78 LMNA (0.50) ALDH1A1DRD3KDM4EHPGDHSD17B10

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
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 EP disclosed
US-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM ALDH1A1 670/4885DRD3 1156/4885KDM4E 1947/4885

“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.