SCHEMBL1833359

SCHEMBL1833359

COc1cc(C)ccc1P(c1ccc(C)cc1OC)c1ccc(C)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
USP2 O75604 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39

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
SCHEMBL1834933 0.85 ACHE (0.48) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL11788741 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL9715823 0.82 ACHE (0.60) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL17529679 0.79 ACHE (0.42) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL17529814 0.79 ACHE (0.42) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL667942 0.77 CA12 (0.60) ALDH1A1CYP3A4MAPTHPGDKMT2A
SCHEMBL31240957 0.77 CA12 (0.60) ALDH1A1CYP3A4MAPTHPGDKMT2A
SCHEMBL668348 0.76 TRPV4 (0.48) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL667230 0.76 NFE2L2 (0.40) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL29403877 0.75 ACHE (1.00) ACHEALDH1A1CYP3A4L3MBTL1MAPT

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
EP-2321244-B1 IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-21 EP 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 (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-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE HRH3, HRH4, TELO2 ACHE 4036/4885ALDH1A1 2964/4885CYP3A4 1711/4885

“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.