SCHEMBL21534079

SCHEMBL21534079

NN1CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
MGLL Q99685 2/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 5/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KEAP1 Q14145 1/20 0.36
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CA2 P00918 3/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32

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
SCHEMBL21574871 1.00 TTR (0.43) TTRMGLLKDM4ESMN1; SMN2CA12
SCHEMBL42607 0.96
Bromide SCHEMBL28185083 0.93
Hydrochloric Acid SCHEMBL7825024 0.93
Methane SCHEMBL28130731 0.93
SCHEMBL28247319 0.93
Cyclopropane SCHEMBL17713820 0.90 TSHR (0.39) TTRMGLLKDM4ESMN1; SMN2CA12
Benzene SCHEMBL29188795 0.87 LMNA (0.44) MGLLKDM4ESMN1; SMN2CA12CA7
Propane SCHEMBL27593999 0.84 SMN1; SMN2 (0.37) MGLLKDM4ESMN1; SMN2CA12CA7
SCHEMBL13654321 0.84

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-20190328893-A1 Conjugates And Conjugating Reagents Comprising A Linker That Includes At Least Two (-CH2-CH2-0-) Units In A Ring POLYTHERICS LIMITED (GB) 2019-10-31 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-20190328893-A1 Conjugates And Conjugating Reagents Comprising A Linker That Includes At Least Two (-CH2-CH2-0-) Units In A Ring BCR, CD2BP2, LANCL1 TTR 1534/4885MGLL 4528/4885KDM4E 1486/4885

“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.