SCHEMBL6958668

SCHEMBL6958668

CC(C)(C)OC(=O)c1nc(CC#N)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
CTSL P07711 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 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
SCHEMBL6017630 0.81 TP53 (0.31)
SCHEMBL6573446 0.81 FAAH (0.34) ALDH1A1
SCHEMBL9811868 0.79 HSD17B10 (0.32) NR1H2ALDH1A1
SCHEMBL4714174 0.78 NR1H2 (0.34) NR1H2
SCHEMBL4711556 0.77 ALDH1A1 (0.31) ALDH1A1GLA
SCHEMBL7275965 0.77 NR1H2 (0.35) NR1H2ALDH1A1GLA
SCHEMBL5691656 0.75 NPSR1 (0.45) ALDH1A1
SCHEMBL5172213 0.73 ABCG2 (0.35) ALDH1A1
SCHEMBL163219 0.73 ABCG2 (0.32) ALDH1A1
SCHEMBL7456710 0.72 CA12 (0.33) ALDH1A1GLA

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
EP-1276724-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
US-20010051642-A1 Method for treating Alzheimer's disease AHN KYUNGHYE (US) 2001-12-13 US disclosed
WO-2001079179-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO 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-20010051642-A1 Method for treating Alzheimer's disease BACE1, BACE2, PSEN1 NR1H2 14/4885CTSS 1198/4885CTSK 1427/4885

“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.