SCHEMBL14964461

SCHEMBL14964461

CCc1ccc(C(C)C)c(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.35
PDE2A O00408 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
NOTUM Q6P988 1/20 0.31
METAP2 P50579 1/20 0.31
NLRP3 Q96P20 1/20 0.30
FEN1 P39748 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
SCHEMBL25944898 0.85 GCGR (0.33) EIF4A3METAP2
SCHEMBL15417382 0.84 EIF4A3 (0.35) EIF4A3PDE2AACE2TRPA1LMNA
SCHEMBL20622503 0.83 EIF4A3 (0.40) EIF4A3PDE2AACE2FEN1
SCHEMBL27342165 0.82 GABRA1 (0.35) EIF4A3TRPA1LMNACHRM1SLC6A2
SCHEMBL20226998 0.78 EIF4A3 (0.34) EIF4A3ACE2METAP2
SCHEMBL24319896 0.78 LMNA (0.38) EIF4A3TRPA1LMNACHRM1SLC6A2
SCHEMBL9621393 0.74 GABRA1 (0.31)
SCHEMBL12599604 0.74 LMNA (0.35) EIF4A3PDE2ATRPA1LMNACHRM1
SCHEMBL15247293 0.74 LMNA (0.40) EIF4A3TRPA1LMNACHRM1SLC6A2
SCHEMBL8097082 0.74 RIPK1 (0.38) METAP2

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-20130131356-A1 PREPARATION OF PROTECTED ALPHA-KETO BETA-AMINO ESTERS AND AMIDES VERTEX PHAMACEUTICALS INCORPORATED (US) 2013-05-23 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-20130131356-A1 PREPARATION OF PROTECTED ALPHA-KETO BETA-AMINO ESTERS AND AMIDES BCKDK, PTMS, DNPEP EIF4A3 3841/4885PDE2A 3873/4885ACE2 803/4885

“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.