SCHEMBL18103306

SCHEMBL18103306

C=CCOC1CCCCC1OCC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL18103300 0.96 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL16404415 0.91 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL18094441 0.89 ALDH1A1 (0.33) ALDH1A1OPRM1
SCHEMBL18094442 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16404391 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21357944 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL23128556 0.80 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL12943153 0.79 CYP19A1 (0.31) OPRM1
SCHEMBL20995934 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL19558563 0.75

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850226-B2 Lithium-selective crown ether, lithium adsorbent using same, and preparation method thereof MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERTAION FOUNDATION (KR) 2017-12-26 US disclosed
US-20160280678-A1 LITHIUM SELECTIVE CROWN ETHER,LITHIUM ADSORBENT USING SAME, AND PREPARATION METHOD THEREOF. MYONGJI UNIVERSITY INDUSTRY AND ACADEMIA COOPERATION FOUNDATION (KR) 2016-09-29 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-20160280678-A1 LITHIUM SELECTIVE CROWN ETHER,LITHIUM ADSORBENT USING SAME, AND PREPARATION METHOD THEREOF. ILK, LNPK, KDELR2 ALDH1A1 1374/4885SMN1; SMN2 2426/4885MAPK1 3691/4885

“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.