SCHEMBL615455

SCHEMBL615455

CC/C=C/c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 2/20 0.51
CHAT P28329 5/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
RXRA P19793 1/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46

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
SCHEMBL615456 1.00 SMPD2 (0.51) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469842 0.85 TLR8 (0.50) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469843 0.85 TLR8 (0.50) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL30786727 0.83 ALDH1A1 (0.41) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469100 0.83 ALDH1A1 (0.41) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1469098 0.83 ALDH1A1 (0.41) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1468842 0.82 CHAT (0.52) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL1468841 0.82 CHAT (0.52) SMPD2CHATMTNR1AMTNR1BRXRA
SCHEMBL133603 0.81 CHAT (0.46) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL6001652 0.81 CHAT (0.40) SMPD2CHATMTNR1AMTNR1BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105714-B2 Phosphonium salt formation from a phosphine and a carbonium compound, ball milling to form the phosphorus ylide, phosphorylation of an aldehyde or ketone; one pot process; improved catalyst selectivity, efficiency; low temperature, industrial scale IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-09-12 US claimed
US-20040260128-A1 Solvent-free mechanochemical preparation of phosphonium salts, phosphorus ylides, and olefins IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2004-12-23 US claimed
US-20030176740-A1 Solvent-free mechanochemical preparation of phosphonium salts, phosphorus ylides, and olefins IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2003-09-18 US claimed
WO-2003066548-A2 SOLVENT-FREE MECHANOCHEMICAL PREPARATION OF PHOSPHONIUM SALTS, PHOSPHORUS YLIDES, AND OLEFINS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2003-08-14 WO claimed
EP-3875528-B1 USE OF A RUBBER COMPOSITION IN A PNEUMATIC TIRE ZEON CORP (JP) 2026-01-14 EP disclosed
EP-3875528-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME Zeon Corporation (JP) 2021-09-08 EP disclosed
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
EP-2202832-B1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL SHINETSU CHEMICAL CO (JP) 2011-11-02 EP disclosed
EP-2202832-A1 SOLID POLYMER ELECTROLYTE MEMBRANE, METHOD FOR PRODUCING THE SAME, MEMBRANE-ELECTRODE ASSEMBLY FOR FUEL CELL, AND FUEL CELL Shin-Etsu Chemical Co., Ltd. (JP) 2010-06-30 EP disclosed
US-7105714-B2 Phosphonium salt formation from a phosphine and a carbonium compound, ball milling to form the phosphorus ylide, phosphorylation of an aldehyde or ketone; one pot process; improved catalyst selectivity, efficiency; low temperature, industrial scale IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-09-12 US disclosed
US-20040260128-A1 Solvent-free mechanochemical preparation of phosphonium salts, phosphorus ylides, and olefins IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2004-12-23 US disclosed
US-6730812-B2 BALL-MILLING AND SALT FORMATION, CATALYTIC REACTION IN ONE POT; CATALYST SELECTIVITY, EFFICIENCY, LOW TEMPERATURE, SIMPLIFICATION; FORMING UNSATURATED COMPOUNDS, 4-BROMOSTYRENE, ISOPROPENYLNAPHTHALENE/1-/ IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2004-05-04 US disclosed
US-20030176740-A1 Solvent-free mechanochemical preparation of phosphonium salts, phosphorus ylides, and olefins IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2003-09-18 US disclosed
WO-2003066548-A2 SOLVENT-FREE MECHANOCHEMICAL PREPARATION OF PHOSPHONIUM SALTS, PHOSPHORUS YLIDES, AND OLEFINS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2003-08-14 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 (4 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-20040260128-A1 Solvent-free mechanochemical preparation of phosphonium salts, phosphorus ylides, and olefins CCR4, CCR1, CCR6 SMPD2 2988/4885CHAT 4484/4885MTNR1A 2257/4885
US-20030176740-A1 Solvent-free mechanochemical preparation of phosphonium salts, phosphorus ylides, and olefins CCR4, CCR1, CCR6 SMPD2 2988/4885CHAT 4484/4885MTNR1A 2257/4885
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES WFS1, EPHX2, MANBA SMPD2 3915/4885CHAT 3569/4885MTNR1A 3570/4885
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES AADAC, NAT1, CTRB1 SMPD2 1821/4885CHAT 849/4885MTNR1A 114/4885

“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.