SCHEMBL19009430

SCHEMBL19009430

CC(C)(C)C(=O)CCC1=CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
DUSP10 Q9Y6W6 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
NQO2 P16083 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HSD11B1 P28845 1/20 0.34
HTR7 P34969 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP24A1 Q07973 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
SCHEMBL16081546 0.83 ALDH1A1 (0.46) HTR6MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL9264064 0.81 KEAP1 (0.46) HTR6ALDH1A1POLBKMT2AMEN1
SCHEMBL17119519 0.79 KDM4E (0.43) HTR6MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL31121639 0.76 HTR6 (0.56) HTR6MTNR1AMTNR1BNQO2HTR7
SCHEMBL2338975 0.76 HTR6 (0.56) HTR6MTNR1AMTNR1BNQO2HTR7
SCHEMBL16339829 0.75 HTR6 (0.40) HTR6MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL10860909 0.74 MTNR1A (0.40) HTR6MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL5859128 0.73 HTR6 (0.50) HTR6MTNR1AMTNR1BNQO2KMT2A
SCHEMBL8952468 0.73 HTR6 (0.54) HTR6MTNR1AMTNR1BNQO2HTR7
SCHEMBL11817887 0.73 MAPT (0.51) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172147-A1 BIO-INSPIRED AND ANTIMICROBIAL POLYMERS CONTAINING AMINO ACID-LIKE MONOMER BUILDING BLOCKS NATIONAL SCIENCE FOUNDATION 2017-06-22 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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 (2 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-20170172147-A1 BIO-INSPIRED AND ANTIMICROBIAL POLYMERS CONTAINING AMINO ACID-LIKE MONOMER BUILDING BLOCKS PAM, ARG1, ASNS HTR6 4419/4885DUSP10 3830/4885MTNR1A 4509/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 HTR6 741/4885DUSP10 3356/4885MTNR1A 2182/4885

“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.