SCHEMBL18094441

SCHEMBL18094441

C=CCOC1CCCCC1OCC=C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.32
OPRM1 P35372 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL18094442 0.95 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18103306 0.89 ALDH1A1 (0.34) ALDH1A1OPRM1
SCHEMBL18103300 0.84 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19749730 0.84
SCHEMBL12943153 0.84 CYP19A1 (0.31) OPRM1
SCHEMBL3196473 0.84 GSR (0.38) ALDH1A1GAA
SCHEMBL5974111 0.83 GSR (0.40) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL17701370 0.81
SCHEMBL5854235 0.81 ATM (0.35) ALDH1A1GAANPC1MAPTRAB9A
SCHEMBL5854242 0.81 ATM (0.35) ALDH1A1GAANPC1MAPTRAB9A

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 6 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-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-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
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
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 1374/4885GAA 3667/4885OPRM1 2380/4885

“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.