SCHEMBL1836407

SCHEMBL1836407

c1ccc(P(c2cccc3c2OCCC3)c2cccc3c2OCCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.40
PARP1 P09874 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.33
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
HTR1A P08908 3/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 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
SCHEMBL16361843 0.97 DRD1 (0.43) DRD1PARP1TDP1CYP3A4ATM
SCHEMBL1835160 0.95 DRD1 (0.39) DRD1PARP1TDP1CYP3A4ATM
SCHEMBL16361841 0.92 DRD1 (0.42) DRD1PARP1TDP1CYP3A4ATM
SCHEMBL1840364 0.90 DRD1 (0.45) DRD1PARP1TDP1CYP3A4SLC6A2
SCHEMBL1835087 0.88 PARP1 (0.40) PARP1TSHRHTR1A
SCHEMBL16362041 0.87 DRD1 (0.49) DRD1PARP1TDP1CYP3A4SLC6A2
SCHEMBL1835217 0.83 PARP1 (0.39) PARP1TSHRHTR1A
SCHEMBL16323362 0.78 CTNNB1 (0.37) DRD1CTNNB1WNT3A
SCHEMBL16361854 0.78 CTNNB1 (0.37) DRD1CTNNB1WNT3A
SCHEMBL1833547 0.77 PARP1 (0.50) DRD1PARP1HTR1ASLC6A2SLC6A4

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 10 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
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
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 DRD1 751/4885PARP1 389/4885TDP1 646/4885
US-20160184811-A1 ARYL PHOSPHINES WITH FUSED RING ORTHO-ALKOXY SUBSTITUTION ALK, PHOSPHO1, MPL DRD1 3012/4885PARP1 3058/4885TDP1 2096/4885

“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.