SCHEMBL19636623

SCHEMBL19636623

CC(C)(C)c1ccc2oc(=O)cc(CC(=O)OCCNC(=N)N)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADAM17 P78536 1/20 0.33

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
SCHEMBL21533758 0.83 KDM4E (0.45) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL24487124 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL21171750 0.66 ACHE (0.48) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL25037449 0.65 MAPT (0.47) PON1GAAPOLBMTNR1AMEN1
SCHEMBL24820151 0.65 NPC1 (0.42) ALDH1A1KDM4EGAAPOLBHPGD
SCHEMBL24487254 0.64 NQO1 (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL3918098 0.64 KCNA3 (0.57) —
SCHEMBL8359458 0.64 PON1 (0.61) PON1ALDH1A1KDM4EGLAGAA
SCHEMBL21533787 0.63 ALDH1A1 (0.51) ALDH1A1HPGDKMT2ATDP1MAPT
SCHEMBL21171772 0.63 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDMEN1

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-20170336368-A1 METHODS FOR LIQUID CHROMATOGRAPHY CALIBRATION FOR RAPID LABELED N-GLYCANS WATERS TECHNOLOGIES CORPORATION (US) 2017-11-23 — — 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-20170336368-A1 METHODS FOR LIQUID CHROMATOGRAPHY CALIBRATION FOR RAPID LABELED N-GLYCANS DDOST, STT3B, CSGALNACT1 PON1 4142/4885ALDH1A1 1045/4885KDM4E 2167/4885

“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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