SCHEMBL13527353

SCHEMBL13527353

CCc1cc(Cl)cc(C)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
AKR1B1 P15121 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 3/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ABCB11 O95342 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL509958 0.89 PTGDR2 (0.46) PTGDR2AKR1B1KDM4EPTGS2ABCB11
SCHEMBL6394892 0.87 AKR1B1 (0.47) AKR1B1KDM4EPTGS2POLBMAPT
SCHEMBL509488 0.84 PTGDR2 (0.46) PTGDR2AKR1B1KDM4EPTGS2ALDH1A1
SCHEMBL508991 0.81 AKR1B1 (0.47) AKR1B1KDM4EPTGS2
SCHEMBL510473 0.81 KDM4E (0.50) PTGDR2KDM4EPTGS2POLBMAPT
SCHEMBL13527342 0.81 ALDH1A1 (0.48) KDM4EPTGS2MAPTNPSR1ALDH1A1
SCHEMBL509515 0.80 KDM4E (0.38) KDM4EPTGS2POLBMAPTNPSR1
SCHEMBL21846849 0.79 CYP1A2 (0.33) MAPTALDH1A1HPGDHSD17B10
SCHEMBL3171352 0.79 MAPT (0.37) AKR1B1KDM4EPTGS2POLBMAPT
SCHEMBL1357312 0.79 AURKA (0.37) PTGDR2KDM4EPTGS2POLBMAPT

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-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 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-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols KCNE1, KCNH3, KCNH2 PTGDR2 3064/4885AKR1B1 177/4885KDM4E 67/4885

“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.