SCHEMBL17875571

SCHEMBL17875571

c1ccc(P(c2cccc3c2OCC3)c2cccc3c2OCC3)c(-c2ccccc2P(c2cccc3c2OCC3)c2cccc3c2OCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HRH1 P35367 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DAO P14920 1/20 0.32
DRD1 P21728 1/20 0.32
RORC P51449 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CES1 P23141 1/20 0.31
HASPIN Q8TF76 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 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
SCHEMBL1833547 0.91 PARP1 (0.50) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL17876322 0.91 PARP1 (0.40) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL16362041 0.83 DRD1 (0.49) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL1840364 0.83 DRD1 (0.45) PARP1SLC6A2SLC6A4KCNH2GRM2
SCHEMBL16362125 0.82 PARP1 (0.41) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL16362124 0.82 PARP1 (0.41) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL1835087 0.80 PARP1 (0.40) PARP1
SCHEMBL16325179 0.80 HTR2A (0.40) PARP1SLC6A2SLC6A4HRH1SLC6A3
SCHEMBL16361856 0.80 HTR2A (0.40) PARP1SLC6A2SLC6A4HRH1SLC6A3
SCHEMBL1835217 0.79 PARP1 (0.39) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579641-B2 Aryl phosphines with fused ring ortho-alkoxy substitution DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 US disclosed
US-9579641-B2 Aryl phosphines with fused ring ortho-alkoxy substitution DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 US disclosed
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 US disclosed
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 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-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION ALK, PHOSPHO1, MPL PARP1 3058/4885SLC6A2 2602/4885SLC6A4 2286/4885

“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.