SCHEMBL18384646

SCHEMBL18384646

COC(=O)c1cc2c(OC)c(CNCC(C)C)cc(OC)c2o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.33

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
SCHEMBL18391717 0.90 TSHR (0.38) GAASMN1; SMN2KMT2ATSHRLMNA
SCHEMBL18391720 0.81 TSHR (0.38) GAASMN1; SMN2KMT2ATSHRLMNA
SCHEMBL18384641 0.77 TSHR (0.45) TSHRLMNAPOLBKDM4EMAPK1
SCHEMBL18384529 0.77 GAA (0.42) GAASMN1; SMN2KMT2APOLBKDM4E
SCHEMBL18384642 0.74 LMNA (0.39) TSHRLMNAPOLBKDM4EALDH1A1
SCHEMBL18384628 0.74 KDM4E (0.46) GAASMN1; SMN2KMT2ATSHRLMNA
SCHEMBL18384560 0.74 GAA (0.43) GAASMN1; SMN2KMT2APOLBKDM4E
SCHEMBL18384643 0.72 MMP3 (0.40) GAASMN1; SMN2KMT2ATSHRLMNA
SCHEMBL18384630 0.70 LMNA (0.57) SMN1; SMN2KMT2ALMNAPOLBKDM4E
SCHEMBL18391655 0.70 TSHR (0.37) KMT2ATSHRLMNAPOLBKDM4E

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 GAA 2327/4885SMN1; SMN2 3746/4885KMT2A 1489/4885

“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.