SCHEMBL18384643

SCHEMBL18384643

COC(=O)c1cc2c(OC)c(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)cc(OC)c2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
PTGER1 P34995 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
GBA1 P04062 1/20 0.37
HPGD P15428 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL18391718 0.92 MMP3 (0.38) MMP3LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL18384646 0.72 GAA (0.42) LMNAMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL18384641 0.68 TSHR (0.45) LMNAMAPK1MAPTTSHR
SCHEMBL18384658 0.68 TSHR (0.36) LMNAMAPK1SMN1; SMN2MAPTMEN1
SCHEMBL18391717 0.67 TSHR (0.38) LMNAMAPK1SMN1; SMN2MAPTMEN1
SCHEMBL18384630 0.66 LMNA (0.57) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28211577 0.65 TAS2R14 (0.65) MMP3MAPTALDH1A1MCOLN3TAS2R14
SCHEMBL18384628 0.65 KDM4E (0.46) LMNAMAPK1SMN1; SMN2MAPTKMT2A
SCHEMBL15056437 0.64 TAS2R14 (0.40) LMNAMAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL15495285 0.64 BMP1 (0.43) LMNAMAPK1SMN1; SMN2MAPTTHRB

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-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 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-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 MMP3 3959/4885LMNA 4786/4885MAPK1 362/4885

“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.