SCHEMBL16160201

SCHEMBL16160201

C/C=C(/C(=O)OC)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TGFBR1 P36897 1/20 0.30
TET2 Q6N021 1/20 0.30
CA14 Q9ULX7 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL18283306 0.83 HCAR2 (0.34) ALDH1A1HCAR2KDM4EMAPTTGFBR1
SCHEMBL18283305 0.83 HCAR2 (0.34) ALDH1A1HCAR2KDM4EMAPTTGFBR1
SCHEMBL13285305 0.82 ALDH1A1 (0.35) ALDH1A1KEAP1NFE2L2HCAR2SMN1; SMN2
SCHEMBL41569 0.80 ALDH1A1 (0.33) ALDH1A1KEAP1NFE2L2HCAR2SMN1; SMN2
SCHEMBL28826497 0.80 ALDH1A1 (0.33) ALDH1A1KEAP1NFE2L2HCAR2SMN1; SMN2
SCHEMBL10687985 0.80 ALDH1A1 (0.33) ALDH1A1KEAP1NFE2L2HCAR2SMN1; SMN2
SCHEMBL6109387 0.78 ALDH1A1 (0.32) ALDH1A1TGFBR1TET2EGLN1
SCHEMBL23551429 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8641917 0.77 TSHR (0.31)
SCHEMBL9255843 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 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-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 ALDH1A1 728/4885KEAP1 10/4885NFE2L2 8/4885

“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.