SCHEMBL21390894

SCHEMBL21390894

Cc1cccc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.53
LIPG Q9Y5X9 6/20 0.46
LPL P06858 5/20 0.46
KDM1A O60341 1/20 0.45
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL21125910 0.91 DGAT1 (0.57) DGAT1LIPGLPLIRAK4PDGFRB
SCHEMBL18015663 0.86 DGAT1 (0.59) DGAT1LIPGLPLIRAK4PDGFRB
SCHEMBL15747744 0.85 DGAT1 (0.52) DGAT1LIPGLPLIDO1BCHE
SCHEMBL29688361 0.84 DGAT1 (0.70) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL30739 0.84 DGAT1 (0.70) DGAT1LIPGLPLPDGFRBKDR
SCHEMBL21390496 0.83 DGAT1 (0.43) DGAT1LIPGLPLKDM1AIDO1
SCHEMBL21290175 0.83 DGAT1 (0.56) DGAT1LIPGLPLKDM1ACYP3A4
SCHEMBL15747886 0.83 DGAT1 (0.53) DGAT1LIPGLPLIDO1PDGFRB
SCHEMBL16787665 0.82 DGAT1 (0.61) DGAT1LIPGLPLKDM1APDGFRB
SCHEMBL21125909 0.82 DGAT1 (0.67) DGAT1LIPGLPLPDGFRBKDR

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 DGAT1 2190/4885LIPG 3983/4885LPL 3716/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 DGAT1 2190/4885LIPG 3983/4885LPL 3716/4885

“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.