SCHEMBL12075673

SCHEMBL12075673

CCc1cccc(OC[C@H](CN)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SOD1 P00441 1/20 0.43
TAAR1 Q96RJ0 3/20 0.41
MAOB P27338 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL12075674 1.00 KDM4E (0.45) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL19944724 0.91 KDM4E (0.49) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL12075484 0.87 MAPK1 (0.46) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL17277510 0.81 ADRB2 (0.48) L3MBTL1MAOBGAA
SCHEMBL17277338 0.81 ADRB2 (0.48) L3MBTL1MAOBGAA
SCHEMBL17277359 0.81 SCN4A (0.50) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL17277505 0.81 SCN4A (0.50) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL12075802 0.81 MAPK1 (0.39) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL25822444 0.80 TAAR1 (0.43) TAAR1MAOB
SCHEMBL25822409 0.80 TAAR1 (0.43) TAAR1MAOB

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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT KDM4E 4344/4885ALDH1A1 1117/4885MAPK1 3970/4885

“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.