SCHEMBL22901541

SCHEMBL22901541

CC(C)C(=O)NCc1ccc(C2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
PTGES O14684 4/20 0.52
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAPT P10636 1/20 0.46
MASP2 O00187 2/20 0.44
F2 P00734 3/20 0.43
KDM4C Q9H3R0 1/20 0.43
CCR1 P32246 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE2A O00408 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL21565741 0.85 ERCC1 (0.51) ERCC1ERCC4PTGESMASP2KMT2A
SCHEMBL12131750 0.84 ERCC1 (0.70) ERCC1ERCC4MAPTKMT2A
SCHEMBL21565747 0.82 TRPA1 (0.54) ERCC1ERCC4PTGESMASP2KMT2A
SCHEMBL24558042 0.79 ERCC1 (0.64) ERCC1ERCC4MAPTKMT2A
SCHEMBL22060015 0.78 ERCC1 (0.62) ERCC1ERCC4MAPTKMT2A
SCHEMBL18887748 0.78 ERCC1 (0.67) ERCC1ERCC4MAPTKMT2A
SCHEMBL12134066 0.78 ERCC1 (0.62) ERCC1ERCC4MAPTKMT2A
SCHEMBL12757443 0.78 KMT2A (0.63) ERCC1ERCC4KMT2A
SCHEMBL18232464 0.76 TPSAB1 (0.61) ERCC1ERCC4KMT2A
SCHEMBL13396910 0.76 ERCC1 (0.60) ERCC1ERCC4MAPTKMT2A

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-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2021-01-21 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-20210015793-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES PPT1, SPTLC1, LPCAT1 ERCC1 4005/4885ERCC4 4784/4885PTGES 2452/4885

“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.