SCHEMBL19794330

SCHEMBL19794330

CC1(C)OB(c2cc3ccc4ccccc4c3nn2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.42
▸ LIPG Q9Y5X9 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL360716 0.80 LPL (0.42) LPLLIPGL3MBTL1MAPTATM
SCHEMBL18015668 0.78 LPL (0.48) LPLLIPGL3MBTL1MAPTATM
SCHEMBL22963565 0.73 HPRT1 (0.41) LPLLIPGL3MBTL1MAPTTDP1
SCHEMBL31577401 0.73 HPRT1 (0.41) LPLLIPGL3MBTL1MAPTTDP1
SCHEMBL27343080 0.73 LPL (0.39) LPLLIPGL3MBTL1ATMTDP1
SCHEMBL27343841 0.73 LPL (0.40) LPLLIPGL3MBTL1MAPTATM
SCHEMBL12496248 0.73 LPL (0.41) LPLLIPGMAPTIRAK4KMT2A
SCHEMBL22963476 0.72 LPL (0.40) LPLLIPGL3MBTL1MAPTATM
SCHEMBL19933832 0.71 LPL (0.46) LPLLIPGIRAK4KDM4EPRMT5
SCHEMBL27343624 0.70 LPL (0.40) LPLLIPGL3MBTL1MAPTATM

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 — — US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 — — EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LPL 4682/4885LIPG 4459/4885L3MBTL1 1661/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LPL 3416/4885LIPG 3693/4885L3MBTL1 2863/4885

“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.

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