SCHEMBL21389656

SCHEMBL21389656

O=C1N=NC(O)N1c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ QPCT Q16769 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL18101266 0.76 CMA1 (0.51) KDM4EKMT2AMAPTNPSR1NPC1
SCHEMBL18101221 0.76 CMA1 (0.51) KDM4EKMT2AMAPTNPSR1NPC1
SCHEMBL18101274 0.76 CMA1 (0.51) KDM4EKMT2AMAPTNPSR1NPC1
SCHEMBL18101271 0.76 CMA1 (0.51) KDM4EKMT2AMAPTNPSR1NPC1
SCHEMBL13820085 0.70 CMA1 (0.56) KDM4EKMT2AGRK2CTDSP1MAPT
SCHEMBL20837135 0.67 GAA (0.41) KMT2ARAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL15981860 0.66 DRD2 (0.52) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL15981859 0.66 DRD2 (0.52) KDM4EKMT2AMAPTNPC1RAB9A
SCHEMBL23646854 0.63 MAPT (0.57) KDM4EKMT2AMAPTNPSR1NPC1
SCHEMBL30061277 0.63 MAPT (0.57) KDM4EKMT2AMAPTNPSR1NPC1

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-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits TECAN SP, INC. (US) 2019-09-26 — — 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-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits CYP2C8, CES2, UGT1A8 KDM4E 152/4885KMT2A 590/4885GRK2 4198/4885

“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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