SCHEMBL1833253

SCHEMBL1833253

CCOc1ccccc1-c1cccc(P)c1-c1ccccc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDK2 Q15119 1/20 0.43
PTPRC P08575 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARG P37231 1/20 0.41
STAT3 P40763 1/20 0.41
NCOA2 Q15596 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 1/20 0.40
PDE5A O76074 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TTR P02766 1/20 0.38
GUSB P08236 1/20 0.38
KCNN4 O15554 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1835625 0.86 PDE5A (0.42) ALDH1A1HPGDMAPTKDM4EPDE5A
SCHEMBL1837903 0.85 CYP1A2 (0.49) ALDH1A1KDM4EPDE5ASMN1; SMN2
SCHEMBL198911 0.82 ALDH1A1 (0.60) ALDH1A1HPGDTDP1PTPRCMAPT
SCHEMBL2491572 0.81 ALDH1A1 (0.43) ALDH1A1HPGDTDP1PDK2PTPRC
SCHEMBL476858 0.79 APP (0.57) ALDH1A1HPGDTDP1MAPTKDM4E
SCHEMBL29590338 0.78 ALDH1A1 (0.56) ALDH1A1HPGDTDP1MAPTL3MBTL1
SCHEMBL9647686 0.78 ALDH1A1 (0.56) ALDH1A1HPGDTDP1MAPTL3MBTL1
SCHEMBL1133363 0.78 ALDH1A1 (0.52) ALDH1A1HPGDTDP1PDK2PTPRC
SCHEMBL16174477 0.77 PDK2 (0.51) ALDH1A1HPGDTDP1PDK2PTPRC
SCHEMBL1837526 0.77 MCHR1 (0.41) ALDH1A1HPGDKDM4E

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 8 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
EP-0479541-B1 Iridium-optically active phosphine complex and catalytic production of optically active alcohols therewith TAKASAGO PERFUMERY CO LTD (JP) 1995-07-19 EP disclosed
US-5210332-A Iridium-optically active phosphine complex and process for producing optically active alcohols using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-05-11 US disclosed
EP-0479541-A1 Iridium-optically active phosphine complex and catalytic production of optically active alcohols therewith Takasago International Corporation (JP) 1992-04-08 EP 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 ALDH1A1 2964/4885HPGD 453/4885TDP1 646/4885

“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.