SCHEMBL4631647

SCHEMBL4631647

C=CC(c1ccccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.49
ALDH1A1 P00352 4/20 0.46
GRM5 P41594 1/20 0.45
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 3/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 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
SCHEMBL29078127 1.00 KCNA5 (0.49) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL14777447 0.98 KCNA5 (0.47) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL2579537 0.87 CYP2D6 (0.48) KCNA5ALDH1A1CYP3A4CYP2C19HIF1A
SCHEMBL3294321 0.83 CYP2D6 (0.55) KCNA5ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL11454180 0.83 ALDH1A1 (0.54) KCNA5ALDH1A1GRM5HSP90AA1HTT
SCHEMBL12068487 0.82 ALDH1A1 (0.50) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL1516145 0.82 ALDH1A1 (0.50) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL5029175 0.82 KCNA5 (0.49) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL2361182 0.81 CYP1A2 (0.57) KCNA5ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL6837651 0.81 CYP1A2 (0.57) KCNA5ALDH1A1CYP3A4CYP2C19TSHR

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
CN-116535418-A Synthesis method and application of chiral N- (1-substituted-allyl) amine 西安交通大学 2023-08-04 CN disclosed
CN-106868938-B Rosin type emulsion sizing agent and paper obtained by using sizing agent 荒川化学工业株式会社 2021-06-22 CN disclosed
CN-105386366-A Rosin emulsion sizing agent and paper ARAKAWA CHEM IND 2016-03-09 CN disclosed
EP-1927889-A1 Lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-06-04 EP disclosed
CN-101103035-A Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-01-09 CN disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
US-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
EP-1745056-A4 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY CORP (US) 2007-10-31 EP disclosed
EP-1745056-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS Yale University Corporation (US) 2007-01-24 EP disclosed
WO-2005111050-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY (US) 2005-11-24 WO disclosed
US-6558873-B1 Interlayer containing a compound capable of forming a complex with aluminum and a photopolymerizable photosensitive layer containing a photopolymerization initiator, an addition polymerizable compound capable of complexing with aluminum FUJI PHOTO FILM CO., LTD. (JP) 2003-05-06 US disclosed
EP-1091251-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed
EP-0483361-B1 USE OF A DISPERSANT IN THE PREPARATION OF AQUEOUS ROSINOUS SUBSTANCE EMULSION AND AQUEOUS ROSINOUS SUBSTANCE EMULSION ARAKAWA CHEM IND (JP) 1997-03-19 EP disclosed
US-5367009-A Sizing for paper, addition copolymer containing amine or quaternary ammonium groups ARAKAWA CHEMICAL INDUSTRIES LTD. (JP) 1994-11-22 US disclosed
US-5288782-A Copolymer of vinyl ester, unsaturated carboxylic acid and unsaturated cationic monomer as dispersant for rosins in water ARAKAWA CHEMICAL INDUSTRIES LTD. (JP) 1994-02-22 US disclosed
EP-0483361-A1 DISPERSANT USED IN THE PREPARATION OF AQUEOUS ROSINOUS SUBSTANCE EMULSION AND AQUEOUS ROSINOUS SUBSTANCE EMULSION ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 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-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts AKR1C3, PCNA, AKR1C4 KCNA5 4683/4885ALDH1A1 1120/4885GRM5 3480/4885

“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.