SCHEMBL4187495

SCHEMBL4187495

CN(C)c1ccc(C(=O)CCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
HPGD P15428 2/20 0.59
GSK3B P49841 2/20 0.57
POLB P06746 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 2/20 0.54
MAPK1 P28482 2/20 0.54
TRPA1 O75762 1/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
FLI1 Q01543 1/20 0.49
EWSR1 Q01844 1/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
Benzene SCHEMBL5533046 0.96 ALDH1A1 (0.61) ALDH1A1MAPTHPGDGSK3BPOLB
SCHEMBL25424836 0.83 ALDH1A1 (0.64) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL11480265 0.82 GSK3B (0.80) ALDH1A1MAPTHPGDGSK3BPOLB
SCHEMBL303244 0.81 ALDH1A1 (0.61) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL22367578 0.81 ALDH1A1 (0.61) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL5843687 0.80 ALDH1A1 (0.59) ALDH1A1MAPTGSK3BPOLBSMN1; SMN2
SCHEMBL2639458 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL6014455 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL10001068 0.79 GSK3B (0.61) ALDH1A1MAPTHPGDGSK3BPOLB
SCHEMBL2639461 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHPGDPOLBSMN1; SMN2

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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885MAPT 4825/4885HPGD 14/4885

“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.