SCHEMBL18652187

SCHEMBL18652187

CC(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NSD2 O96028 1/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
APEX1 P27695 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
CASP6 P55212 1/20 0.55
TOP1 P11387 3/20 0.47
TOP2A P11388 3/20 0.47
TOP2B Q02880 3/20 0.47

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
SCHEMBL24871936 0.89 KDM4E (0.55) KDM4ELMNATDP1POLBGAA
SCHEMBL18652182 0.82 HDAC6 (0.55) KDM4EPOLBGAAL3MBTL1MAPT
SCHEMBL5924542 0.80 CNR2 (0.46) KDM4ELMNAMAPTHTTADORA2A
SCHEMBL23471200 0.79 PRSS1 (0.44) NPC1ADORA2ACNR1CNR2
SCHEMBL328703 0.79 KDM4E (0.61) KDM4ELMNATDP1POLBGAA
SCHEMBL3894629 0.78 CNR2 (0.57) LMNAL3MBTL1ALDH1A1MAPTHTT
SCHEMBL13286830 0.78 KDM4E (0.65) KDM4ELMNATDP1POLBGAA
SCHEMBL17865785 0.78 ADORA2A (0.59) LMNAL3MBTL1ALDH1A1NFKB1NFKB2
SCHEMBL23471122 0.76 HTT (0.49) KDM4ELMNATDP1POLBGAA
SCHEMBL23471223 0.76 EPHX2 (0.44) KDM4ELMNAPOLBGAAMAPT

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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 KDM4E 1665/4885LMNA 3286/4885TDP1 3932/4885

“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.