SCHEMBL21172148

SCHEMBL21172148

O=C(Cc1cc(=O)oc2ccccc12)NCCOP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.44
ACHE P22303 4/20 0.44
KDM4E B2RXH2 5/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
PTGS2 P35354 1/20 0.40
LCK P06239 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL24487012 0.88 KDM4E (0.42) BCHEACHEKDM4ERECQLALDH1A1
SCHEMBL21172146 0.85 NPC1 (0.44) ACHERECQLALDH1A1GAAHSD17B10
SCHEMBL21533688 0.84 KMT2A (0.45) KDM4ERECQLALDH1A1GAAHSD17B10
SCHEMBL21533687 0.83 BCHE (0.49) BCHEACHEKDM4ERECQLALDH1A1
SCHEMBL21171753 0.82 CA12 (0.41) KDM4EALDH1A1GLAGAALCK
SCHEMBL21533671 0.81 KDM4E (0.44) KDM4EALDH1A1GLAGAALCK
SCHEMBL24818334 0.81 MEN1 (0.42) KDM4ERECQLALDH1A1GAAHSD17B10
SCHEMBL24487069 0.81 KCNA3 (0.40) KDM4EALDH1A1GLAGAALCK
SCHEMBL24487172 0.79 KDM4E (0.46) KDM4EALDH1A1GLAGAALCK
SCHEMBL21533753 0.78 CA12 (0.44) KDM4ERECQLALDH1A1GAACYP1A2

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
US-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 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 (3 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 BCHE 3847/4885ACHE 1801/4885KDM4E 2975/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT BCHE 3489/4885ACHE 2175/4885KDM4E 3466/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT BCHE 3489/4885ACHE 2175/4885KDM4E 3466/4885

“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.