SCHEMBL574426

SCHEMBL574426

C=Cc1ccc(C2CCCCC2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE5A O76074 2/20 0.34
ATM Q13315 1/20 0.34
HTR6 P50406 1/20 0.33
NPY5R Q15761 1/20 0.33
CEL P19835 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NMT1 P30419 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTGS2 P35354 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
OGG1 O15527 1/20 0.31

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
SCHEMBL9242148 0.81 ALDH1A1 (0.38) PDE5ADRD2SLC6A4CNR1CNR2
SCHEMBL164339 0.78 PTGDR2 (0.39) L3MBTL1CELPTGDR2SLC6A4PTGS2
SCHEMBL7650796 0.77 CEL (0.36) TDP1L3MBTL1PDE5AATMHTR6
SCHEMBL4075041 0.75 CEL (0.35) CEL
SCHEMBL7653478 0.74 HTR6 (0.36) TDP1L3MBTL1PDE5AATMHTR6
SCHEMBL2100602 0.74 ALDH1A1 (0.48) TDP1
SCHEMBL29434197 0.74 ALDH1A1 (0.48) TDP1
SCHEMBL4070687 0.74 ABCB1 (0.35) CELPTGDR2PTGS2
SCHEMBL7176869 0.73 CYP1B1 (0.40) TDP1L3MBTL1PDE5AATMNPY5R
SCHEMBL7176865 0.73 ALDH1A1 (0.44) TDP1L3MBTL1DRD2SLC6A4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969498-B2 Compositions and method of inhibiting polymerization of vinyl-aryl monomers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-03 US disclosed
CN-103124745-B Compositions and method of inhibiting polymerization of vinyl-aryl monomers DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-29 CN disclosed
EP-2585490-B1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-07-02 EP disclosed
US-20130158203-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS CARNEGIE MELLON UNIVERSITY (US) 2013-06-20 US disclosed
CN-103124745-A Compositions and method of inhibiting polymerization of vinyl-aryl monomers DOW GLOBAL TECHNOLOGIES LLC 2013-05-29 CN disclosed
EP-2585490-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS Dow Global Technologies LLC (US) 2013-05-01 EP disclosed
WO-2012018650-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-09 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-20130158203-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS PCNA, MKI67, VCL TDP1 2408/4885L3MBTL1 3607/4885PDE5A 4326/4885

“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.