SCHEMBL21390525

SCHEMBL21390525

CC1(C)OB(c2cc(-c3ccccc3-c3ccc(-c4cccc(-c5ccccc5)c4)nc3)cc(-c3ccccc3-c3ccc(-c4cccc(-c5ccccc5)c4)nc3)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.50
LPL P06858 7/20 0.50
DGAT1 O75907 1/20 0.47
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
KMO O15229 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HPGDS O60760 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
P4HB P07237 1/20 0.32
ENPP3 O14638 1/20 0.32

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
SCHEMBL19794354 0.94 DGAT1 (0.53) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL21390496 0.91 DGAT1 (0.43) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL19834881 0.89 DGAT1 (0.45) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL19933637 0.88 LIPG (0.56) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL20696492 0.87 DGAT1 (0.47) LIPGLPLDGAT1PDGFRBKDR
SCHEMBL29412555 0.86 LIPG (0.56) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL22660881 0.86 LIPG (0.56) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL19933647 0.85 DGAT1 (0.43) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL19933611 0.85 DGAT1 (0.43) LIPGLPLDGAT1HSD17B1HSD17B2
SCHEMBL18015663 0.85 DGAT1 (0.59) LIPGLPLDGAT1HSD17B1HSD17B2

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-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20210111345-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2021-04-15 US disclosed
WO-2019179909-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-09-26 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-20210111345-A1 METAL COMPLEXES NCLN, BICRA, AP3M1 LIPG 3983/4885LPL 3716/4885DGAT1 2190/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 LIPG 3983/4885LPL 3716/4885DGAT1 2190/4885

“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.