SCHEMBL8375824

SCHEMBL8375824

CC(=O)c1cc(C)cc(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
CA5A P35218 1/20 0.41
ERN1 O75460 1/20 0.39
UNG P13051 1/20 0.38
CYP2A6 P11509 2/20 0.38
HCAR1 Q9BXC0 1/20 0.36
LMNA P02545 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL10299515 0.87 CA5A (0.48) CA5AUNGLMNASRCALDH1A1
SCHEMBL3643300 0.87 CA5A (0.48) CA5AUNGLMNASRCALDH1A1
SCHEMBL1174923 0.83 TPMT (0.64) TPMTCA5AERN1UNGCYP2A6
SCHEMBL8979335 0.82 TPMT (0.40) TPMTERN1UNGCYP2A6HCAR1
SCHEMBL15128818 0.82 PARP1 (0.47) TPMTERN1UNGCYP2A6HCAR1
SCHEMBL95695 0.79 TPMT (0.62) TPMTCA5ACYP2A6HCAR1LMNA
SCHEMBL2624954 0.79 TPMT (0.55) TPMTCA5ACYP2A6HCAR1LMNA
SCHEMBL17265744 0.79 CA5A (0.64) CA5AUNGHCAR1LMNAALDH1A1
SCHEMBL15426747 0.79 UNG (0.52) TPMTCA5AUNGHCAR1LMNA
SCHEMBL2160967 0.79 ALDH1A1 (0.56) ERN1LMNAALDH1A1MAPTTDP1

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-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 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-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BACE1, APP, BACE2 TPMT 2114/4885CA5A 3136/4885ERN1 722/4885

“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.