SCHEMBL4699893

SCHEMBL4699893

COC(=O)N(C)CCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ EPHX2 P34913 6/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ KDM4A O75164 11/20 0.44
▸ KDM4C Q9H3R0 11/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM7A Q6ZMT4 1/20 0.44
▸ PHF8 Q9UPP1 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL4700836 0.98 EPHX2 (0.49) TSHREPHX2ALDH1A1KDM4AKDM4C
SCHEMBL4704005 0.94 TSHR (0.48) TSHREPHX2ALDH1A1KDM4AKDM4C
SCHEMBL9575098 0.87 TSHR (0.43) TSHRALDH1A1KDM4AKDM4CKDM5A
SCHEMBL8383339 0.84 LMNA (0.41) TSHRKDM4AKDM4CKDM5AKDM7A
SCHEMBL8383336 0.82 LMNA (0.40) TSHREPHX2KDM4AKDM4CKDM5A
SCHEMBL8381762 0.82 LMNA (0.43) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL8381759 0.81 LMNA (0.42) EPHX2KDM4AKDM4CKDM5AKDM7A
SCHEMBL12051230 0.81 EPHX2 (0.50) TSHREPHX2ALDH1A1KDM4AKDM4C
SCHEMBL12051415 0.79 EPHX2 (0.53) TSHREPHX2ALDH1A1KDM4AKDM4C
SCHEMBL1249634 0.79 EPHX2 (0.43) TSHREPHX2ALDH1A1KDM4AKDM4C

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 TSHR 1044/4885EPHX2 1851/4885ALDH1A1 421/4885

“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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