SCHEMBL1833547

SCHEMBL1833547

c1cc2c(c(P(c3cccc4c3OCC4)c3cccc4c3OCC4)c1)OCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
DAO P14920 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 2/20 0.35
CCR8 P51685 1/20 0.33
HRH1 P35367 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD1 P21728 1/20 0.33
GRM2 Q14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR1A P08908 1/20 0.31
AKR1C3 P42330 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL17875571 0.91 PARP1 (0.44) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL1835087 0.88 PARP1 (0.40) PARP1HTR1A
SCHEMBL16362041 0.87 DRD1 (0.49) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL1840364 0.87 DRD1 (0.45) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL16362124 0.87 PARP1 (0.41) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL16362125 0.87 PARP1 (0.41) PARP1DAOSLC6A2SLC6A4KCNH2
SCHEMBL1835217 0.86 PARP1 (0.39) PARP1HTR1A
SCHEMBL16362122 0.85 PARP1 (0.40) PARP1HCRTR1HCRTR2
SCHEMBL17876322 0.85 PARP1 (0.40) PARP1SLC6A2SLC6A4KCNH2HRH1
SCHEMBL17876422 0.84 PARP1 (0.47) PARP1DAOSLC6A2SLC6A4KCNH2

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 14 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-9579641-B2 Aryl phosphines with fused ring ortho-alkoxy substitution DOW GLOBAL TECHNOLOGIES LLC (US) 2017-02-28 US disclosed
EP-2321244-B1 IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-21 EP 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
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 US disclosed
EP-3010927-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION Dow Global Technologies LLC (US) 2016-04-27 EP disclosed
WO-2014205025-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2014-12-24 WO disclosed
WO-2014205025-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2014-12-24 WO disclosed
US-8558030-B2 Process for telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-15 US disclosed
US-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (Formerly known as Dow Global Technologies Inc.) (US) 2011-06-09 US disclosed
EP-2321244-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2011-05-18 EP disclosed
WO-2010019360-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES INC. (US) 2010-02-18 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-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE HRH3, HRH4, TELO2 PARP1 389/4885DAO 2254/4885SLC6A2 4580/4885
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION ALK, PHOSPHO1, MPL PARP1 3058/4885DAO 875/4885SLC6A2 2602/4885

“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.