SCHEMBL18100548

SCHEMBL18100548

OC1COc2ccccc2OCC(O)COc2ccccc2OC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.57
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
NISCH Q9Y2I1 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 2/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2832695 1.00 ABCG2 (0.57) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL18100543 1.00 ABCG2 (0.57) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL18100536 0.85 SMN1; SMN2 (0.43) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL18103276 0.84 SMN1; SMN2 (0.42) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL18100539 0.84 ABCG2 (0.41) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL18100538 0.82 ABCG2 (0.40) ABCG2NISCHLTA4H
SCHEMBL18100537 0.82 ABCG2 (0.40) ABCG2NISCHSMN1; SMN2ALDH1A1HPGD
SCHEMBL18100541 0.81 ABCG2 (0.39) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL18100546 0.81 ABCG2 (0.39) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL25082548 0.80 NISCH (0.45) NISCHHTR1AMAOAMAOB

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 3 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
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 ABCG2 953/4885ITGB2 231/4885ICAM1 258/4885

“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.