SCHEMBL4963291

SCHEMBL4963291

Oc1ccc(C2CCCC2)c(O)c1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
BACE1 P56817 1/20 0.41
HSP90AA1 P07900 1/20 0.41
FEN1 P39748 4/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALOX5AP P20292 3/20 0.37
ACMSD Q8TDX5 2/20 0.37
ADRB2 P07550 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CEL P19835 1/20 0.35
PTPN5 P54829 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL1160572 0.83 NUDT1 (0.45) NUDT1BACE1HSP90AA1FEN1HDAC4
SCHEMBL11319506 0.82 NUDT1 (0.44) NUDT1BACE1HSP90AA1FEN1HDAC4
SCHEMBL6361815 0.82 FEN1 (0.37) FEN1HDAC4HDAC2HDAC8ALOX5AP
SCHEMBL10607806 0.81 NUDT1 (0.46) NUDT1BACE1HSP90AA1FEN1HDAC4
SCHEMBL12909319 0.80 NUDT1 (0.39) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL20676750 0.80 FEN1 (0.39) NUDT1BACE1HSP90AA1FEN1ALOX5AP
SCHEMBL9340143 0.80 ACMSD (0.46) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL4962052 0.79 CHRNB2 (0.55) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL11764867 0.79 NUDT1 (0.41) NUDT1BACE1HSP90AA1FEN1HDAC4
SCHEMBL3169205 0.78 HDAC4 (0.52) HDAC4HDAC2HDAC8ACMSDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628945-B1 DEPIGMENTING AGENTS WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
US-7390838-B2 Depigmenting agents PFIZER INC. (US) 2008-06-24 US disclosed
US-7338979-B2 Depigmentation agents WARNER-LAMBERT COMPANY (US) 2008-03-04 US disclosed
EP-1628945-A1 DEPIGMENTING AGENTS Warner-Lambert Company LLC (US) 2006-03-01 EP disclosed
EP-1594830-A1 DEPIGMENTATION AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004103940-A1 DEPIGMENTING AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-02 WO disclosed
US-20040235963-A1 Depigmenting agents GATTRELL WILLIAM THOMAS (GB) 2004-11-25 US disclosed
US-20040186186-A1 Depigmentation agents PROCTER MARTIN JAMES (GB) 2004-09-23 US disclosed
WO-2004072010-A1 DEPIGMENTATION AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 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 (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-20040186186-A1 Depigmentation agents NQO1, ADH4, ALDH1A2 NUDT1 698/4885BACE1 3565/4885HSP90AA1 2066/4885
US-20040235963-A1 Depigmenting agents NQO1, ADH4, ALDH1A2 NUDT1 633/4885BACE1 2201/4885HSP90AA1 2321/4885

“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.