SCHEMBL5442666

SCHEMBL5442666

O=C(N[C@@H]1CCC[C@@H](NC(=O)OCc2ccccc2)C1)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.68
ALDH1A1 P00352 2/20 0.68
GAA P10253 1/20 0.68
TSHR P16473 1/20 0.64
TLR4 O00206 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
DPP4 P27487 1/20 0.55
KCNH2 Q12809 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
CPB1 P15086 2/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ACHE P22303 1/20 0.52
HSD11B1 P28845 1/20 0.52
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL5442669 1.00 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL5442663 1.00 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL29492533 1.00 EPHX1 (0.68) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL28879466 0.96 EPHX1 (0.64) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL10007474 0.94 EPHX1 (0.62) EPHX1ALDH1A1GAATSHRTLR4
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.94 EPHX1 (0.76) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL16665079 0.93 EPHX1 (0.61) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL26346079 0.93 EPHX1 (0.61) EPHX1ALDH1A1GAATSHRTLR4
SCHEMBL17207590 0.93 EPHX1 (0.61) EPHX1ALDH1A1GAATSHRTLR4
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL579215 0.92 EPHX1 (0.74) EPHX1ALDH1A1GAATSHRTLR4

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-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 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-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 EPHX1 568/4885ALDH1A1 1661/4885GAA 8/4885

“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.