SCHEMBL3209995

SCHEMBL3209995

CC1(C)OB(c2cccc3cc(COc4cccc(C(F)(F)F)c4)sc23)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
LIPE Q05469 2/20 0.35
KMT2A Q03164 1/20 0.35
NR4A2 P43354 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL3196244 0.82 GPR52 (0.45)
SCHEMBL15328982 0.80 MCL1 (0.43) LMNAPKMHSD17B10L3MBTL1MRGPRX4
SCHEMBL1848413 0.79 LMNA (0.49) LMNAPKMHSD17B10L3MBTL1POLB
SCHEMBL1855279 0.74 LMNA (0.45) LMNAPKMHSD17B10L3MBTL1POLB
SCHEMBL1849991 0.73 CYP2A6 (0.41)
SCHEMBL17504842 0.70 LPL (0.34)
SCHEMBL3218927 0.70 CYP2A6 (0.36)
SCHEMBL1851702 0.69 LMNA (0.40) LMNAPKMHSD17B10L3MBTL1POLB
SCHEMBL19756678 0.69 LPL (0.38)
SCHEMBL28369018 0.69 LPL (0.38)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 LMNA 3837/4885PKM 4653/4885HSD17B10 1574/4885

“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.