SCHEMBL23487529

SCHEMBL23487529

CC1(C)OB(c2cc(-c3ccccc3-c3cccnc3)cc(-c3ccccc3-c3cccnc3)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
PTGS2 P35354 1/20 0.43
CYP11B1 P15538 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
BACE1 P56817 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
CYP2A6 P11509 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
PDK2 Q15119 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 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
SCHEMBL5529453 0.88 LPL (0.49) LPLLIPGCYP11B1MAPTL3MBTL1
SCHEMBL23487532 0.87 LIPG (0.54) LPLLIPGCYP11B1MAPTL3MBTL1
SCHEMBL5527589 0.85 LIPG (0.46) LPLLIPGCYP11B1ALDH1A1BACE1
SCHEMBL21311948 0.85 LIPG (0.46) LPLLIPGCYP11B1ALDH1A1BACE1
SCHEMBL17177947 0.85 LIPG (0.61) LPLLIPGPDGFRBKDR
SCHEMBL5531896 0.84 LIPG (0.54) LPLLIPGCYP11B1MAPTL3MBTL1
SCHEMBL12129647 0.84 LIPG (0.45) LPLLIPGCYP11B1ALDH1A1BACE1
SCHEMBL23487530 0.83 LPL (0.42) LPLLIPGPDGFRBKDRCYP2A6
SCHEMBL19106577 0.82 CYP11B1 (0.59) LPLLIPGCYP11B1MAPTALDH1A1
SCHEMBL22418958 0.82 LIPG (0.46) LPLLIPGCYP11B1ALDH1A1BACE1

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 3736/4885PTGS2 4012/4885

“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.