SCHEMBL21531396

SCHEMBL21531396

CC(OC(=O)/C=C/C1=CCCC=C1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
AKR1B10 O60218 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
AKR1B1 P15121 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
CCR5 P51681 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21531398 1.00 MEN1 (0.35) MEN1KMT2ACA12AKR1B10CA1
SCHEMBL15364319 0.79 CA12 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL23653647 0.75 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL22779641 0.70 CCNC (0.31)
Alanine SCHEMBL10400294 0.69
SCHEMBL7804572 0.69 AKR1B10 (0.54) MEN1KMT2ACA12AKR1B10CA1
SCHEMBL22881950 0.68 APP (0.34) AKR1B10AKR1B1HCAR2KDM4EALDH1A1
SCHEMBL16844231 0.67 HDAC1 (0.33)
SCHEMBL9303334 0.67 CYP1A2 (0.39) KMT2ATDP1KDM4EALDH1A1HPGD
SCHEMBL18648890 0.66 CYP2C9 (0.59) MEN1KMT2ATDP1HCAR2ALDH1A1

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-11219230-B2 Mixtures with stabilising properties SYMRISE AG (DE) 2022-01-11 US disclosed
US-20190336423-A1 MIXTURES WITH STABILISING PROPERTIES SYMRISE AG (DE) 2019-11-07 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-11219230-B2 Mixtures with stabilising properties LPO, TAS2R50, TAS2R10 MEN1 2346/4885KMT2A 4117/4885CA12 1655/4885
US-20190336423-A1 MIXTURES WITH STABILISING PROPERTIES LPO, TAS2R50, TAS2R10 MEN1 2346/4885KMT2A 4117/4885CA12 1655/4885

“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.