SCHEMBL21998520

SCHEMBL21998520

O=C(/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.67
AKR1B1 P15121 3/20 0.67
MAOB P27338 2/20 0.67
PTGS2 P35354 1/20 0.67
GLO1 Q04760 1/20 0.67
CAMK2A Q9UQM7 1/20 0.67
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
MET P08581 1/20 0.59
BACE1 P56817 5/20 0.55
ALOX5 P09917 1/20 0.55
TYR P14679 2/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL31237229 0.88 AKR1B10 (0.51) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL30661993 0.88 AKR1B10 (0.51) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL1573466 0.87 AKR1B10 (0.69) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL13310700 0.87 GSK3B (0.58) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL1573468 0.87 AKR1B10 (0.69) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL21778869 0.84 RAB9A (0.68) MAOBALOX5MMP1MMP2MMP9
Coumaric Acid SCHEMBL7868662 0.81 AKR1B10 (0.68) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL14629577 0.81 TRPV1 (0.52) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL29489701 0.81 ALOX5 (0.65) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL13745604 0.81 MAOB (0.59) AKR1B10AKR1B1MAOBPTGS2GLO1

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-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 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-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN AKR1B10 2189/4885AKR1B1 3189/4885MAOB 806/4885

“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.