SCHEMBL18080321

SCHEMBL18080321

Cc1cc(C(C)C)c[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.38
MCL1 Q07820 2/20 0.37
ATAD2 Q6PL18 1/20 0.35
BRD4 O60885 2/20 0.35
LMNA P02545 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL22185347 0.78 FABP4 (0.41) DAOMCL1KDM4EALDH1A1HPGD
SCHEMBL29301801 0.77 EIF4A3 (0.38) DAOMCL1LMNAALDH1A1HTT
SCHEMBL12381065 0.77 DAO (0.55) DAOKDM4ETRPA1PTGS1CACNA1C
SCHEMBL20674963 0.77 MCL1 (0.40) DAOMCL1LMNAKDM4EGRIN2D
SCHEMBL11537244 0.75 BRD4 (0.43) DAOMCL1BRD4KDM4EALDH1A1
SCHEMBL891353 0.74
SCHEMBL22114535 0.72 MCL1 (0.61) MCL1KDM4EALDH1A1GAAHPGD
SCHEMBL15469076 0.72 DYRK1A (0.55) DAOMCL1LMNAKDM4EALDH1A1
SCHEMBL8404401 0.72
Hydrochloric Acid SCHEMBL17597705 0.71 DYRK1A (0.53) DAOMCL1LMNAKDM4EALDH1A1

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 DAO 2447/4885MCL1 2923/4885ATAD2 3844/4885

“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.