SCHEMBL8022076

SCHEMBL8022076

CCc1ccc(O)c(C2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.64
BACE1 P56817 1/20 0.64
TRPA1 O75762 1/20 0.52
HSP90AA1 P07900 1/20 0.47
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
THRB P10828 3/20 0.41
THRA P10827 2/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADCY1 Q08828 1/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
ACMSD Q8TDX5 1/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36

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
SCHEMBL13586652 0.98 NUDT1 (0.67) NUDT1BACE1TRPA1HSP90AA1DRD2
SCHEMBL15026744 0.96 BACE1 (0.59) NUDT1BACE1TRPA1HSP90AA1DRD2
SCHEMBL12881779 0.86 NUDT1 (0.69) NUDT1BACE1HSP90AA1DRD2DRD1
SCHEMBL917277 0.85 NUDT1 (0.72) NUDT1BACE1HSP90AA1DRD2DRD1
SCHEMBL15054138 0.84 NUDT1 (0.50) NUDT1BACE1TRPA1HSP90AA1DRD2
SCHEMBL10597858 0.84 BACE1 (0.81) NUDT1BACE1HSP90AA1DRD2DRD1
SCHEMBL7182409 0.84 NUDT1 (0.71) NUDT1BACE1HSP90AA1THRBTHRA
SCHEMBL11596345 0.83 NUDT1 (0.66) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL5682327 0.82 NUDT1 (0.68) NUDT1BACE1HSP90AA1THRBCNR1
SCHEMBL27749308 0.82 NUDT1 (0.69) NUDT1BACE1HSP90AA1DRD2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
EP-2300484-B1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2011-12-14 EP disclosed
EP-0984912-A1 METHOD FOR CONTINUOUS PRODUCTION OF DIHYDROXYDIPHENYLALKANES Bayer Aktiengesellschaft (DE) 2000-03-15 EP disclosed
WO-1998052896-A1 METHOD FOR CONTINUOUS PRODUCTION OF DIHYDROXYDIPHENYLALKANES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed
US-4115355-A SUBSTITUTED PHENOLS NIPPON ZEON CO. LTD. (JP) 1978-09-19 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-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 NUDT1 576/4885BACE1 2145/4885TRPA1 2514/4885

“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.