SCHEMBL24487012

SCHEMBL24487012

O=C(Cc1cc(=O)oc2ccccc12)NCOP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
PTGS2 P35354 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HPGD P15428 3/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
LCK P06239 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
SCHEMBL21172148 0.88 BCHE (0.44) KDM4EALDH1A1GLAGAAPTGS2
SCHEMBL24487172 0.81 KDM4E (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21533687 0.80 BCHE (0.49) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL21171753 0.80 CA12 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21533671 0.79 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24487069 0.78 KCNA3 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21172146 0.77 NPC1 (0.44) ALDH1A1GAAHSD17B10HPGDACHE
SCHEMBL24486794 0.76 PTGS2 (0.40) KDM4EALDH1A1PTGS2HPGDCYP1A2
SCHEMBL24487010 0.75 HSD17B3 (0.45) ALDH1A1CA12CA1CA9RECQL
SCHEMBL21533753 0.75 CA12 (0.44) KDM4EALDH1A1GAACYP1A2CYP2C9

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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 KDM4E 2975/4885ALDH1A1 1650/4885GLA 71/4885

“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.