SCHEMBL12415404

SCHEMBL12415404

COC(=O)C1CC(=O)N(Cc2ccc(C)cc2)C1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6272090 0.89 KMT2A (0.64) SMN1; SMN2ALDH1A1KMT2AHTT
SCHEMBL1269684 0.88 CYP3A4 (0.67) SMN1; SMN2L3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL5970008 0.88 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL2584810 0.88 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL7459479 0.85 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL12415397 0.85 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHTT
SCHEMBL26660431 0.84 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL12415402 0.82 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL18820798 0.80 ALDH1A1 (0.72) SMN1; SMN2L3MBTL1ALDH1A1HSD17B10KMT2A
Isophthalic Acid SCHEMBL27639823 0.79 KMT2A (0.55) SMN1; SMN2L3MBTL1ALDH1A1KMT2ALMNA

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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D SMN1; SMN2 365/4885L3MBTL1 4377/4885ALDH1A1 489/4885

“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.