SCHEMBL13620452

SCHEMBL13620452

Cc1cnc2c(C(=O)O)c(C)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.58
CCR5 P51681 2/20 0.58
CCR8 P51685 2/20 0.58
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 2/20 0.47
PSMD14 O00487 2/20 0.44
COPS5 Q92905 1/20 0.44
ALK Q9UM73 1/20 0.43
SLC40A1 Q9NP59 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
NFKBIA P25963 1/20 0.38
CYP1A2 P05177 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.36
SLC16A3 O15427 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Quinmerac SCHEMBL29433226 0.84 ALK (0.60) CCR1CCR5CCR8PARP1KDM4E
Quinmerac SCHEMBL8539662 0.84 ALK (0.60) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL19698082 0.84 ALK (0.47) CCR1CCR5CCR8ALKALDH1A1
Quinmerac SCHEMBL54128 0.84 ALK (0.60) CCR1CCR5CCR8PARP1KDM4E
Quinmerac SCHEMBL29351452 0.84 ALK (0.60) CCR1CCR5CCR8PARP1KDM4E
Quinmerac SCHEMBL28113431 0.83 ALK (0.59) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL27936014 0.83 CCR1 (0.53) CCR1CCR5CCR8PARP1KDM4E
Quinmerac SCHEMBL28348267 0.80 ALK (0.56) CCR1CCR5CCR8PARP1KDM4E
Quinmerac SCHEMBL5267957 0.79 ALK (0.55) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL14649419 0.78 CCR1 (0.66) CCR1CCR5CCR8PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3813532-B1 PROCESS FOR THE PREPARATION OF QUINMERAC ADAMA AGAN LTD (IL) 2024-02-28 EP disclosed
US-9060516-B2 Method for controlling aquatic weeds BASF SE (DE) 2015-06-23 US disclosed
WO-2009133083-A2 HERBICIDE MIXTURE BASF SE (DE) 2009-11-05 WO disclosed
US-20090011934-A1 Method for Controlling Aquatic Weeds BASF SE (DE) 2009-01-08 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-20090011934-A1 Method for Controlling Aquatic Weeds NOTUM, AQP3, CBR3 CCR1 3001/4885CCR5 4623/4885CCR8 4191/4885

“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.