SCHEMBL4700836

SCHEMBL4700836

COC(=O)N(C)CCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ KDM4A O75164 11/20 0.47
▸ KDM4C Q9H3R0 11/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM7A Q6ZMT4 1/20 0.47
▸ PHF8 Q9UPP1 1/20 0.47
▸ KDM2A Q9Y2K7 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PMP22 Q01453 1/20 0.46

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
SCHEMBL4699893 0.98 TSHR (0.47) EPHX2ALDH1A1KDM4AKDM4CKDM5A
SCHEMBL4704005 0.92 TSHR (0.48) EPHX2ALDH1A1KDM4AKDM4CKDM5A
SCHEMBL9575098 0.86 TSHR (0.43) ALDH1A1KDM4AKDM4CKDM5AKDM7A
SCHEMBL8381762 0.85 LMNA (0.43) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL8381759 0.83 LMNA (0.42) EPHX2KDM4AKDM4CKDM5AKDM7A
SCHEMBL8383339 0.82 LMNA (0.41) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL12051415 0.81 EPHX2 (0.53) EPHX2ALDH1A1KDM4AKDM4CKDM5A
SCHEMBL8383336 0.81 LMNA (0.40) EPHX2KDM4AKDM4CKDM5AKDM7A
SCHEMBL23113130 0.80 EPHX2 (0.45) EPHX2ALDH1A1KDM4AKDM4CKDM5A
SCHEMBL8360181 0.80 EPHX2 (0.45) EPHX2ALDH1A1KDM4AKDM4CKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 — — EP disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 — — US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 — — US disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 — — EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 — — 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-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 EPHX2 1851/4885ALDH1A1 421/4885KDM4A 619/4885

“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.

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