SCHEMBL23487530

SCHEMBL23487530

Cc1cncc(-c2ccccc2-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccccc3-c3cncc(C)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.42
LIPG Q9Y5X9 8/20 0.42
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
CYP2A6 P11509 3/20 0.37
DGAT1 O75907 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TDO2 P48775 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL23487532 0.88 LIPG (0.54) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL23487529 0.83 LPL (0.47) LPLLIPGPDGFRBKDRCYP2A6
SCHEMBL23487528 0.83 LPL (0.39) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL21354170 0.81 LPL (0.44) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL25070291 0.81 PDGFRB (0.30) PDGFRBKDR
SCHEMBL23487657 0.80 LIPG (0.43) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL17177947 0.79 LIPG (0.61) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL18162736 0.79 LIPG (0.56) LPLLIPGCYP2A6CA12CA1
SCHEMBL23487531 0.78 LPL (0.43) LPLLIPG
SCHEMBL21142342 0.77 DGAT1 (0.48) LPLLIPGPDGFRBKDRCYP2A6

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-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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 (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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 LPL 4205/4885LIPG 3736/4885PDGFRB 4670/4885

“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.