SCHEMBL18155069

SCHEMBL18155069

C#CN(O)C(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
KDM4E B2RXH2 5/20 0.48
HPGD P15428 5/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.44
MPO P05164 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL9760694 0.79 KDM4E (0.56) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL1436159 0.75 KDM4E (0.52) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL7866805 0.75 KDM4E (0.52) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL549420 0.73 KDM4E (0.54) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL29134994 0.72 KDM4E (0.54) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL750649 0.72 KDM4E (0.58) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL27445624 0.72 KDM4E (0.58) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28677921 0.72 KDM4E (0.54) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL1446966 0.72 MEN1 (0.57) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL29478348 0.72 TSHR (0.62) TSHRKDM4EHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562920-B2 Ln(III) and Ga(III) metallacrown complexes THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-02-18 US disclosed
US-20180127438-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES NATIONAL SCIENCE FOUNDATION 2018-05-10 US disclosed
EP-3283497-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES The Regents of The University of Michigan (US) 2018-02-21 EP disclosed
WO-2016166380-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-20 WO 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 (2 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-20180127438-A1 LN(III) AND GA(III) METALLACROWN COMPLEXES NEU3, GALNT3, LGALS3 TSHR 698/4885KDM4E 4066/4885HPGD 1340/4885
US-10562920-B2 Ln(III) and Ga(III) metallacrown complexes NEU3, GALNT3, LGALS3 TSHR 698/4885KDM4E 4066/4885HPGD 1340/4885

“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.