SCHEMBL21362456

SCHEMBL21362456

CC(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
KMT2A Q03164 3/20 0.47
HMGCR P04035 2/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP3A4 P08684 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
ALOX15 P16050 2/20 0.42
GMNN O75496 1/20 0.42
GABBR2 O75899 1/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL39321 0.88 GAA (0.55) GAAKMT2AALDH1A1TSHRLMNA
SCHEMBL39082 0.87 HMGCR (0.57) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL3343753 0.85 PTGS2 (0.55) GAAKMT2AALDH1A1TSHRLMNA
SCHEMBL23650047 0.85 GAA (0.53) GAAKMT2AALDH1A1TSHRLMNA
Ammonia Solution, Strong SCHEMBL11660895 0.85 HMGCR (0.55) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL2201965 0.83 HSPA5 (0.59) GAAKMT2AALDH1A1TSHRLMNA
SCHEMBL421864 0.83 PTGS2 (0.57) GAAKMT2AALDH1A1TSHRLMNA
SCHEMBL8523997 0.82 ALDH1A1 (0.50) GAAKMT2AALDH1A1TSHRLMNA
Methylmalonic Acid SCHEMBL27399478 0.82 GAA (0.51) GAAKMT2AHMGCRALDH1A1TSHR
SCHEMBL4595680 0.82 PTGS2 (0.47) GAAKMT2AALDH1A1TSHRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046906-B2 Lubricant composition BASF SE (DE) 2021-06-29 US disclosed
US-20200248093-A1 Lubricant Composition BASF SE (DE) 2020-08-06 US disclosed
US-10421851-B2 Low emissions scorch inhibitor for polyurethane foam VANDERBILT CHEMICALS, LLC 2019-09-24 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 (2 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-20200248093-A1 Lubricant Composition OGG1, APOB, POLN GAA 4366/4885KMT2A 3750/4885HMGCR 357/4885
US-11046906-B2 Lubricant composition APOB, OGG1, POLN GAA 4324/4885KMT2A 3917/4885HMGCR 427/4885

“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.