SCHEMBL1849673

SCHEMBL1849673

CCOC(=O)c1cc2cccc(OC)c2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CASP3 P42574 1/20 0.57
ATM Q13315 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
GAA P10253 3/20 0.56
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CA2 P00918 1/20 0.47
CHRNA7 P36544 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL2895989 0.85 ALDH1A1 (0.55) KDM4EMAPTL3MBTL1CA2CHRNA7
SCHEMBL18264002 0.83 KDM4E (0.60) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29443049 0.83 KDM4E (0.57) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15595465 0.83 KDM4E (0.57) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18264007 0.83 HDAC3 (0.58) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6330002 0.82 CA2 (0.49) KDM4ECA2CHRNA7HSD17B10ALDH1A1
SCHEMBL13736736 0.81 HDAC3 (0.60) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1850788 0.80 CA2 (0.53) KDM4ESMN1; SMN2NPC1RAB9ACA2
SCHEMBL30020347 0.80 KDM4E (0.83) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18264039 0.79 HDAC3 (0.64) KDM4EMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016191366-A1 MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-01 WO disclosed
WO-2016191366-A1 MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-01 WO disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
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 KDM4E 3467/4885MAPT 4174/4885SMN1; SMN2 4263/4885

“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.