SCHEMBL18094445

SCHEMBL18094445

CC(C)(CC1CO1)C(C)(C)CC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 5/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
CHRM2 P08172 4/20 0.31
CHRM5 P08912 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CHRM1 P11229 2/20 0.31
HBB P68871 1/20 0.31
CHRM3 P20309 3/20 0.30
CHRM4 P08173 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL16089589 0.81
SCHEMBL1262495 0.81
SCHEMBL10777594 0.78
SCHEMBL13848624 0.77
SCHEMBL4273659 0.77
SCHEMBL991393 0.77
SCHEMBL3514633 0.75
SCHEMBL3969255 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1TP53
SCHEMBL2327517 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1TP53
SCHEMBL14836313 0.75 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1TP53

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 1374/4885TSHR 3711/4885MAPK1 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.