SCHEMBL13611715

SCHEMBL13611715

CCCCC(C)/C=C(C)/C=C/C(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 6/20 0.33
CA1 P00915 5/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC15A1 P46059 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
POLA1 P09884 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TRPA1 O75762 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
SCHEMBL13604734 0.86 CA2 (0.35) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL26491282 0.84 ACHE (0.45) CA2CA1ACHEBACE1MAPK1
SCHEMBL13604827 0.83 CA2 (0.33) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL13604804 0.80 CA2 (0.35) MAPTCA2CA1ACHEBACE1
SCHEMBL13611728 0.79 ACE2 (0.40) MAPTCA2CA1
SCHEMBL13611574 0.79 ACE2 (0.40) MAPTCA2CA1
SCHEMBL13611716 0.78 ACHE (0.41) CA2CA1ACHEBACE1MAPK1
SCHEMBL6781652 0.78 HCAR2 (0.44) MAPTACHEBACE1
SCHEMBL4509146 0.78 HCAR2 (0.44) MAPTACHEBACE1
SCHEMBL26624680 0.78 HCAR2 (0.44) MAPTACHEBACE1

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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 POLB 3073/4885MAPT 4868/4885KDM4E 3382/4885

“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.