SCHEMBL18384658

SCHEMBL18384658

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL18391720 0.76 TSHR (0.38) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL18384659 0.75 CA12 (0.53) TSHRLMNAALDH1A1KDM4EMAPK1
SCHEMBL18384629 0.74 KDM4E (0.46) TSHRLMNAKMT2AALDH1A1KDM4E
SCHEMBL18384640 0.69 LMNA (0.39) TSHRLMNAALDH1A1KDM4EMAPK1
SCHEMBL18384646 0.68 GAA (0.42) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL18384631 0.68 LMNA (0.57) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL18384643 0.68 MMP3 (0.40) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL18391717 0.67 TSHR (0.38) TSHRLMNAKMT2AMEN1ALDH1A1
SCHEMBL18384641 0.67 TSHR (0.45) TSHRLMNAKDM4EMAPK1HSD17B10
SCHEMBL18391718 0.67 MMP3 (0.38) TSHRLMNAKMT2AMEN1ALDH1A1

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 TSHR 2047/4885LMNA 4786/4885KMT2A 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.