SCHEMBL2863853

SCHEMBL2863853

CCCc1ccccc1OP(Oc1ccccc1CCC)Oc1ccccc1CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
NISCH Q9Y2I1 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
PPARD Q03181 1/20 0.41
AR P10275 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTB4R Q15722 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
SCHEMBL446440 0.91 HRH1 (0.43) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL29643262 0.88 THRA (0.50) TAAR1THRATHRB
SCHEMBL268679 0.88 THRA (0.50) TAAR1THRATHRB
SCHEMBL163336 0.86 THRA (0.56) TAAR1THRATHRB
SCHEMBL9312392 0.86 HTR1A (0.41) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL11031425 0.86 THRB (0.42) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL4004612 0.84 THRA (0.59) THRATHRBLTB4RLTB4R2
SCHEMBL11615164 0.84 LTB4R (0.41) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL6849772 0.84 THRA (0.59) THRATHRBLTB4RLTB4R2
SCHEMBL8393505 0.84 THRA (0.59) THRATHRBLTB4RLTB4R2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980060-B1 METHOD FOR PRODUCING DIALDEHYDE KURARAY CO (JP) 2020-10-28 EP disclosed
EP-3320060-A1 COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES ExxonMobil Research and Engineering Company (US) 2018-05-16 EP disclosed
WO-2017007670-A1 COMPOSITION AND METHOD FOR PREVENTING OR REDUCING ENGINE KNOCK AND PRE-IGNITION IN HIGH COMPRESSION SPARK IGNITION ENGINES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-01-12 WO disclosed
US-9464018-B2 Method for producing dialdehyde KURARAY CO., LTD. (JP) 2016-10-11 US disclosed
US-20160052852-A1 METHOD FOR PRODUCING DIALDEHYDE KURARAY CO., LTD. (JP) 2016-02-25 US disclosed
EP-2980060-A1 METHOD FOR PRODUCING DIALDEHYDE Kuraray Co., Ltd. (JP) 2016-02-03 EP disclosed
EP-1890998-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES OF THE DIPHENYLMETHANE SERIES HUNTSMAN INT LLC (US) 2014-02-26 EP disclosed
US-7842843-B2 Mixture containing 1,3-butadiene and process for producing the same KURARAY CO., LTD. (JP) 2010-11-30 US disclosed
EP-1728796-B1 BISPHOSPHITE AND PROCESS FOR PRODUCING ALDEHYDE COMPOUND WITH THE BISPHOSPHITE KURARAY CO LTD KURASHIKI PLANT (JP) 2010-03-17 EP disclosed
WO-2009077795-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATES OF THE DIPHENYLMETHANE SERIES BORSODCHEM ZRT (HU) 2009-06-25 WO disclosed
US-20070197834-A1 Useful component of catalysts used in the hydroformylation of olefins with carbon monoxide and hydrogen; reaction under milder conditions KURARAY CO., LTD (JP) 2007-08-23 US disclosed
EP-1795578-A2 Mixture containing 1, 3-Butadiene and process for producing the same Kuraray Co., Ltd. (JP) 2007-06-13 EP disclosed
US-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME KURARAY CO., LTD (JP) 2007-05-31 US disclosed
WO-2006130405-A2 PROCESS FOR THE PREPARATION OF POLYISOCYANATES OF THE DIPHENYLMETHANE SERIES HUNTSMAN INTERNATIONAL LLC (US) 2006-12-07 WO disclosed
EP-1728796-A1 BISPHOSPHITE AND PROCESS FOR PRODUCING ALDEHYDE COMPOUND WITH THE BISPHOSPHITE Kuraray Co., Ltd., Kurashiki Plant (JP) 2006-12-06 EP disclosed
US-6576788-B1 METHOD FOR PRODUCING MIXTURES CONSISTING OF DIPHENYLMETHANE DIISOCYANATES AND POLYPHENYLENE-POLYMETHYLENE-POLYISOCYANATES CONTAINING A REDUCED AMOUNT OF CHLORINATED SECONDARY PRODUCTS AND WITH A REDUCED IODINE COLOR INDEX BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-4557809-A Electrochemical synthesis of zerovalent transition metal organophosphorus complexes BORG-WARNER CHEMICALS, INC. (US) 1985-12-10 US disclosed
EP-0097152-A4 POLYPHENYLENE ETHER PHOSPHITES. GEN ELECTRIC (US) 1984-04-17 EP disclosed
EP-0097152-A1 POLYPHENYLENE ETHER PHOSPHITES GENERAL ELECTRIC COMPANY (US) 1984-01-04 EP disclosed
WO-1983002117-A1 POLYPHENYLENE ETHER PHOSPHITES GEN ELECTRIC (US) 1983-06-23 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 (3 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-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME TELO2, MSMO1, HBG1 HTR1A 2213/4885ADRA2A 3155/4885ADRA2B 3022/4885
US-20160052852-A1 METHOD FOR PRODUCING DIALDEHYDE ENO1, ALDH1A2, DERA HTR1A 4051/4885ADRA2A 1956/4885ADRA2B 1533/4885
US-20070197834-A1 Useful component of catalysts used in the hydroformylation of olefins with carbon monoxide and hydrogen; reaction under milder conditions OXER1, OXGR1, OXSR1 HTR1A 1313/4885ADRA2A 845/4885ADRA2B 644/4885

“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.