SCHEMBL3391950

SCHEMBL3391950

C[C](C)COC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.33
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL14328602 0.83 ALDH1A1 (0.39) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL7810255 0.80 NPC1 (0.38) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2608303 0.79 TSHR (0.41) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL10308349 0.78 NPC1 (0.37) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL2909899 0.78 PAM (0.40) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL30900867 0.76 NPC1 (0.36) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL27221230 0.76 NPC1 (0.36) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL9906060 0.76 ALOX15 (0.36) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL8426224 0.76 NPC1 (0.40) NPC1ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL887066 0.76 PAM (0.39) NPC1ALDH1A1LMNATDP1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216723-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS KING INDUSTRIES (US) 2013-08-22 US claimed
US-8431730-B2 Sulfonate esters as latent acid catalysts KING INDUSTRIES (US) 2013-04-30 US claimed
EP-2203519-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS King Industries (US) 2010-07-07 EP claimed
US-20090104363-A1 Sulfonate esters as latent acid catalysts KING INDUSTRIES 2009-04-23 US claimed
WO-2009045466-A1 SULFONATE ESTERS AS LATENT ACID CATALYSTS KING INDUSTRIES (US) 2009-04-09 WO claimed
US-4477618-A CROSSLINKING AN ACTIVE HYDROGEN-CONTAINING RESIN BLEND BY BAKING; STORAGE STABILITY PPG INDUSTRIES, INC. (US) 1984-10-16 US claimed
US-4477618-A CROSSLINKING AN ACTIVE HYDROGEN-CONTAINING RESIN BLEND BY BAKING; STORAGE STABILITY PPG INDUSTRIES, INC. (US) 1984-10-16 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-20090104363-A1 Sulfonate esters as latent acid catalysts ORAI1, SARAF, NAPA NPC1 4439/4885ALDH1A1 3647/4885LMNA 306/4885

“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.