SCHEMBL2870339

SCHEMBL2870339

CC[O-].C[P+](C)(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
TP53 P04637 1/20 0.46
TRPA1 O75762 2/20 0.45
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
EPHX1 P07099 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
Fluoride Ion SCHEMBL28882550 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL516365 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Iodide SCHEMBL931546 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL515994 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Fluoride Ion SCHEMBL4615583 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Water SCHEMBL2496495 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9752209 0.87 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7179621 0.86 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7175865 0.86 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Fluoride Ion SCHEMBL64308 0.85 SIGMAR1 (0.52) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842843-B2 Mixture containing 1,3-butadiene and process for producing the same KURARAY CO., LTD. (JP) 2010-11-30 US disclosed
US-7728180-B2 Method for producing ethers KURARAY CO., LTD. (JP) 2010-06-01 US disclosed
US-20080262272-A1 Method For Producing Ethers KURARAY CO., LTD. (JP) 2008-10-23 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
EP-1760061-A1 METHOD FOR PRODUCING ETHERS KURARAY CO., LTD. (JP) 2007-03-07 EP disclosed
US-6506838-B1 Comprising a linear polymer of oxymethylene repeat units, blocked at one end by at least one terminal group selected from the group consisting of an alkylene oxide as an adduct to alcohol and an alkylene oxide as an adduct to carboxylic acid ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-01-14 US disclosed
EP-0429672-B1 ACETAL COPOLYMER AND METHOD OF PRODUCING THE SAME ASAHI CHEMICAL IND (JP) 1996-03-27 EP disclosed
EP-0474875-B1 THERMOPLASTIC GRAFT COPOLYMER AND PRODUCTION THEREOF ASAHI CHEMICAL IND (JP) 1995-11-15 EP disclosed
EP-0427874-B1 POLYACETAL COPOLYMER AND COMPOSITION THEREOF ASAHI CHEMICAL IND (JP) 1995-09-06 EP disclosed
US-5306769-A Graft copolymerization with particulate crosslinked vinyl monomer units ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-04-26 US disclosed
US-5294670-A Copolymer with addition polymer, engineering resin, surface is easy to print and coat ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-03-15 US disclosed
US-5206325-A Mono- or polysaccharide grafted onto acetal resin ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-27 US disclosed
EP-0474875-A1 THERMOPLASTIC GRAFT COPOLYMER AND PRODUCTION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-18 EP disclosed
EP-0429672-A1 ACETAL COPOLYMER AND METHOD OF PRODUCING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-06-05 EP disclosed
EP-0427874-A1 POLYACETAL COPOLYMER AND COMPOSITION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-05-22 EP disclosed
US-4535127-A Polyacetal copolymers and process for production thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-13 US disclosed
US-4380620-A ANIONIC POLYMERIZATION CATALYSTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-04-19 US disclosed
US-4377667-A ENCAPPING WITH AN ALKYLENE OXIDE ADDUCT OF AN ALCOHOL OR CARBOXYLIC ACID ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-03-22 US 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-20070123738-A1 MIXTURE CONTAINING 1,3-BUTADIENE AND PROCESS FOR PRODUCING THE SAME TELO2, MSMO1, HBG1 SIGMAR1 3992/4885TAAR1 3175/4885SLC6A2 4873/4885
US-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT SIGMAR1 3902/4885TAAR1 1969/4885SLC6A2 4686/4885

“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.